2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane

C282H281F15N28O26S19 — CID 165090412

About 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane

2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane (PubChem CID 165090412) has the molecular formula C282H281F15N28O26S19 and a molecular weight of 5372.76 g/mol. Its IUPAC name is 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane.

Molecular Properties

• Compound Name: 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane
• PubChem CID: 165090412
• Molecular Formula: C282H281F15N28O26S19
• Molecular Weight: 5372.76 g/mol
• Exact Mass: 5367.60
• IUPAC Name: 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane
• SMILES: CC.CC.CC1CC2C(=O)C(=Nc3cc4c(s3)c3sc5c6sc(N=C7C(=O)C8CC(F)C(F)CC8C7=O)cc6n(CC6CCCCC6)c5c3n4CC3CCCCC3)C(=O)C2CC1F.CCC(C)Cn1c2cc(N=C3C(=O)C4CC(F)C(F)CC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CC(C)C(F)CC6C5=O)cc4n(CC(C)CC(F)(F)F)c3c21.CCC(C)Cn1c2cc(N=C3C(=O)C4CCCCC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(CC(C)CC)c3c21.CCC(C)Cn1c2cc(N=C3C(=O)C4CCCCC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(CC(C)CC)c3c21.CCCC(C)n1c2cc(N=C3C(=O)C4CC(C)C(F)CC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CC(F)C(F)CC6C5=O)cc4n(C(C)CCC)c3c21.Cc1cc2c(cc1F)C(=O)C(=Nc1cc3c(s1)-c1sc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)cc1C31CCCCC1)C2=C(C#N)C#N.N#CC(C#N)=C1C(=Nc2cc3c(s2)-c2sc(N=C4C(=O)C5CCCCC5C4=O)cc2C32CCCCC2)C(=O)c2ccccc21
• InChI: InChI=1S/C45H47F3N4O4S3.C41H40F6N4O4S3.C41H43F3N4O4S3.2C40H44N4O4S3.C36H25F3N4O3S2.C35H26N4O3S2.2C2H6/c1-20-12-23-24(13-27(20)46)39(54)34(38(23)53)49-32-16-30-42(57-32)44-36(51(30)18-21-8-4-2-5-9-21)37-45(59-44)43-31(52(37)19-22-10-6-3-7-11-22)17-33(58-43)50-35-40(55)25-14-28(47)29(48)15-26(25)41(35)56;1-5-15(2)13-50-25-10-27(49-30-35(54)20-8-23(43)24(44)9-21(20)36(30)55)56-37(25)39-31(50)32-40(58-39)38-26(51(32)14-16(3)12-41(45,46)47)11-28(57-38)48-29-33(52)18-6-17(4)22(42)7-19(18)34(29)53;1-6-8-17(4)47-26-14-28(45-30-34(49)19-10-16(3)23(42)11-20(19)35(30)50)53-38(26)40-32(47)33-41(55-40)39-27(48(33)18(5)9-7-2)15-29(54-39)46-31-36(51)21-12-24(43)25(44)13-22(21)37(31)52;2*1-5-19(3)17-43-25-15-27(41-29-33(45)21-11-7-8-12-22(21)34(29)46)49-37(25)39-31(43)32-40(51-39)38-26(44(32)18-20(4)6-2)16-28(50-38)42-30-35(47)23-13-9-10-14-24(23)36(30)48;1-15-7-17-18(8-23(15)37)31(44)29(28(17)16(13-40)14-41)42-26-11-21-34(47-26)35-22(36(21)5-3-2-4-6-36)12-27(48-35)43-30-32(45)19-9-24(38)25(39)10-20(19)33(30)46;36-16-18(17-37)27-19-8-2-3-9-20(19)30(40)28(27)38-25-14-23-33(43-25)34-24(35(23)12-6-1-7-13-35)15-26(44-34)39-29-31(41)21-10-4-5-11-22(21)32(29)42;2*1-2/h16-17,20-29H,2-15,18-19H2,1H3;10-11,15-24H,5-9,12-14H2,1-4H3;14-25H,6-13H2,1-5H3;2*15-16,19-24H,5-14,17-18H2,1-4H3;7-8,11-12,19-20,24-25H,2-6,9-10H2,1H3;2-3,8-9,14-15,21-22H,1,4-7,10-13H2;2*1-2H3
• InChIKey: CRZKFUJDBYHFDN-UHFFFAOYSA-N
• XLogP: 71.79
• TPSA: 761.32 Ų
• H-Bond Acceptors: 73
• Rotatable Bonds: 42
• Heavy Atoms: 370
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5372.76
LogP ≤ 5	71.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane?

The IUPAC name of 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane (CID 165090412) is 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane.

What is the SMILES notation for 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane?

The canonical SMILES for 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane is CC.CC.CC1CC2C(=O)C(=Nc3cc4c(s3)c3sc5c6sc(N=C7C(=O)C8CC(F)C(F)CC8C7=O)cc6n(CC6CCCCC6)c5c3n4CC3CCCCC3)C(=O)C2CC1F.CCC(C)Cn1c2cc(N=C3C(=O)C4CC(F)C(F)CC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CC(C)C(F)CC6C5=O)cc4n(CC(C)CC(F)(F)F)c3c21.CCC(C)Cn1c2cc(N=C3C(=O)C4CCCCC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(CC(C)CC)c3c21.CCC(C)Cn1c2cc(N=C3C(=O)C4CCCCC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(CC(C)CC)c3c21.CCCC(C)n1c2cc(N=C3C(=O)C4CC(C)C(F)CC4C3=O)sc2c2sc3c4sc(N=C5C(=O)C6CC(F)C(F)CC6C5=O)cc4n(C(C)CCC)c3c21.Cc1cc2c(cc1F)C(=O)C(=Nc1cc3c(s1)-c1sc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)cc1C31CCCCC1)C2=C(C#N)C#N.N#CC(C#N)=C1C(=Nc2cc3c(s2)-c2sc(N=C4C(=O)C5CCCCC5C4=O)cc2C32CCCCC2)C(=O)c2ccccc21.

What is the InChIKey of 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane?

The InChIKey is CRZKFUJDBYHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47F3N4O4S3.C41H40F6N4O4S3.C41H43F3N4O4S3.2C40H44N4O4S3.C36H25F3N4O3S2.C35H26N4O3S2.2C2H6/c1-20-12-23-24(13-27(20)46)39(54)34(38(23)53)49-32-16-30-42(57-32)44-36(51(30)18-21-8-4-2-5-9-21)37-45(59-44)43-31(52(37)19-22-10-6-3-7-11-22)17-33(58-43)50-35-40(55)25-14-28(47)29(48)15-26(25)41(35)56;1-5-15(2)13-50-25-10-27(49-30-35(54)20-8-23(43)24(44)9-21(20)36(30)55)56-37(25)39-31(50)32-40(58-39)38-26(51(32)14-16(3)12-41(45,46)47)11-28(57-38)48-29-33(52)18-6-17(4)22(42)7-19(18)34(29)53;1-6-8-17(4)47-26-14-28(45-30-34(49)19-10-16(3)23(42)11-20(19)35(30)50)53-38(26)40-32(47)33-41(55-40)39-27(48(33)18(5)9-7-2)15-29(54-39)46-31-36(51)21-12-24(43)25(44)13-22(21)37(31)52;2*1-5-19(3)17-43-25-15-27(41-29-33(45)21-11-7-8-12-22(21)34(29)46)49-37(25)39-31(43)32-40(51-39)38-26(44(32)18-20(4)6-2)16-28(50-38)42-30-35(47)23-13-9-10-14-24(23)36(30)48;1-15-7-17-18(8-23(15)37)31(44)29(28(17)16(13-40)14-41)42-26-11-21-34(47-26)35-22(36(21)5-3-2-4-6-36)12-27(48-35)43-30-32(45)19-9-24(38)25(39)10-20(19)33(30)46;36-16-18(17-37)27-19-8-2-3-9-20(19)30(40)28(27)38-25-14-23-33(43-25)34-24(35(23)12-6-1-7-13-35)15-26(44-34)39-29-31(41)21-10-4-5-11-22(21)32(29)42;2*1-2/h16-17,20-29H,2-15,18-19H2,1H3;10-11,15-24H,5-9,12-14H2,1-4H3;14-25H,6-13H2,1-5H3;2*15-16,19-24H,5-14,17-18H2,1-4H3;7-8,11-12,19-20,24-25H,2-6,9-10H2,1H3;2-3,8-9,14-15,21-22H,1,4-7,10-13H2;2*1-2H3.

What are the key properties of 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane?

2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane has a molecular weight of 5372.76 g/mol, XLogP of 71.79, 42 rotatable bonds, 0 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3,17-bis(cyclohexylmethyl)-14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-di(pentan-2-yl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-17-(2-methylbutyl)-3-(4,4,4-trifluoro-2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[2-[10-[(5,6-difluoro-1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-5-fluoro-6-methyl-3-oxoinden-1-ylidene]propanedinitrile;bis(2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-3,17-bis(2-methylbutyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione);2-[2-[10-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]spiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,1'-cyclohexane]-4-yl]imino-3-oxoinden-1-ylidene]propanedinitrile;ethane is sourced from PubChem (CID 165090412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).