5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

C307H252F7N47O15S11 — CID 165014779

About 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (PubChem CID 165014779) has the molecular formula C307H252F7N47O15S11 and a molecular weight of 5325.43 g/mol. Its IUPAC name is 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

Molecular Properties

• Compound Name: 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• PubChem CID: 165014779
• Molecular Formula: C307H252F7N47O15S11
• Molecular Weight: 5325.43 g/mol
• Exact Mass: 5320.72
• IUPAC Name: 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
• SMILES: CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.CCN1C(=O)/C(=N\c2cnc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12
• InChI: InChI=1S/C39H36N4O2S.C38H35N5O2S.C35H28F3N5O2S.2C34H27F2N5O2S.C34H26N6O2S.C34H29N5O2S.C30H24N6OS3.C29H20N6S/c1-23-7-13-28(14-8-23)43(29-15-9-24(2)10-16-29)30-17-11-25(12-18-30)31-19-20-34(37-35(31)41-46-42-37)40-36-32-21-26-5-3-4-6-27(26)22-33(32)38(44)39(36)45;1-22-7-13-27(14-8-22)43(28-15-9-23(2)10-16-28)29-17-11-24(12-18-29)33-36-35(41-46-42-36)32(21-39-33)40-34-30-19-25-5-3-4-6-26(25)20-31(30)37(44)38(34)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)28-18-39-34(31-29(28)41-46-42-31)40-30-26-16-9-22(35(36,37)38)17-27(26)32(44)33(30)45;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)26-17-37-34(30-29(26)39-44-40-30)38-31-32(42)24-15-27(35)28(36)16-25(24)33(31)43;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)29-31-30(39-44-40-31)28(17-37-29)38-32-33(42)24-15-26(35)27(36)16-25(24)34(32)43;1-20-5-11-24(12-6-20)40(25-13-7-21(2)8-14-25)26-15-9-23(10-16-26)27-17-18-29(32-31(27)37-43-38-32)36-30-22(3)28(19-35)33(41)39(4)34(30)42;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)29-32-31(37-42-38-32)28(19-35-29)36-30-26-5-3-4-6-27(26)33(40)34(30)41;1-4-35-29(37)28(39-30(35)38)32-24-17-31-25(27-26(24)33-40-34-27)20-9-15-23(16-10-20)36(21-11-5-18(2)6-12-21)22-13-7-19(3)8-14-22;1-19-4-10-22(11-5-19)35(23-12-6-20(2)7-13-23)24-14-8-21(9-15-24)25-16-17-26(32-27(18-30)31-3)29-28(25)33-36-34-29/h7-20,26-27,32-33H,3-6,21-22H2,1-2H3;7-18,21,25-26,30-31H,3-6,19-20H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,24-25,27-28H,15-16H2,1-2H3;3-14,17,24-27H,15-16H2,1-2H3;5-18H,1-4H3;7-19,26-27H,3-6H2,1-2H3;5-17H,4H2,1-3H3;4-17H,1-2H3/b40-36-;40-34-;40-30-;;;36-30+;36-30-;32-28+;32-27+
• InChIKey: YNJXOSAXCHZBLS-NXRPUZFTSA-N
• XLogP: 73.49
• TPSA: 764.23 Ų
• H-Bond Acceptors: 70
• Rotatable Bonds: 46
• Heavy Atoms: 387
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5325.43
LogP ≤ 5	73.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	70

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The IUPAC name of 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 165014779) is 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

What is the SMILES notation for 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The canonical SMILES for 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.CCN1C(=O)/C(=N\c2cnc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CC6CCCCC6CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(N=C4C(=O)C5CC(F)C(F)CC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.

What is the InChIKey of 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

The InChIKey is YNJXOSAXCHZBLS-NXRPUZFTSA-N. The full InChI is InChI=1S/C39H36N4O2S.C38H35N5O2S.C35H28F3N5O2S.2C34H27F2N5O2S.C34H26N6O2S.C34H29N5O2S.C30H24N6OS3.C29H20N6S/c1-23-7-13-28(14-8-23)43(29-15-9-24(2)10-16-29)30-17-11-25(12-18-30)31-19-20-34(37-35(31)41-46-42-37)40-36-32-21-26-5-3-4-6-27(26)22-33(32)38(44)39(36)45;1-22-7-13-27(14-8-22)43(28-15-9-23(2)10-16-28)29-17-11-24(12-18-29)33-36-35(41-46-42-36)32(21-39-33)40-34-30-19-25-5-3-4-6-26(25)20-31(30)37(44)38(34)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)28-18-39-34(31-29(28)41-46-42-31)40-30-26-16-9-22(35(36,37)38)17-27(26)32(44)33(30)45;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)26-17-37-34(30-29(26)39-44-40-30)38-31-32(42)24-15-27(35)28(36)16-25(24)33(31)43;1-18-3-9-21(10-4-18)41(22-11-5-19(2)6-12-22)23-13-7-20(8-14-23)29-31-30(39-44-40-31)28(17-37-29)38-32-33(42)24-15-26(35)27(36)16-25(24)34(32)43;1-20-5-11-24(12-6-20)40(25-13-7-21(2)8-14-25)26-15-9-23(10-16-26)27-17-18-29(32-31(27)37-43-38-32)36-30-22(3)28(19-35)33(41)39(4)34(30)42;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)29-32-31(37-42-38-32)28(19-35-29)36-30-26-5-3-4-6-27(26)33(40)34(30)41;1-4-35-29(37)28(39-30(35)38)32-24-17-31-25(27-26(24)33-40-34-27)20-9-15-23(16-10-20)36(21-11-5-18(2)6-12-21)22-13-7-19(3)8-14-22;1-19-4-10-22(11-5-19)35(23-12-6-20(2)7-13-23)24-14-8-21(9-15-24)25-16-17-26(32-27(18-30)31-3)29-28(25)33-36-34-29/h7-20,26-27,32-33H,3-6,21-22H2,1-2H3;7-18,21,25-26,30-31H,3-6,19-20H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,24-25,27-28H,15-16H2,1-2H3;3-14,17,24-27H,15-16H2,1-2H3;5-18H,1-4H3;7-19,26-27H,3-6H2,1-2H3;5-17H,4H2,1-3H3;4-17H,1-2H3/b40-36-;40-34-;40-30-;;;36-30+;36-30-;32-28+;32-27+.

What are the key properties of 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?

5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione has a molecular weight of 5325.43 g/mol, XLogP of 73.49, 46 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-difluoro-2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;5,6-difluoro-2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;1,4-dimethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]methanimidoyl cyanide;1-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;1-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,4a,5,6,7,8,8a,9,9a-decahydrocyclopenta[b]naphthalene-2,3-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is sourced from PubChem (CID 165014779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).