2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

C146H130BrCl3F9N29O5S8 — CID 157342853

About 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 157342853) has the molecular formula C146H130BrCl3F9N29O5S8 and a molecular weight of 2984.62 g/mol. Its IUPAC name is 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 157342853
• Molecular Formula: C146H130BrCl3F9N29O5S8
• Molecular Weight: 2984.62 g/mol
• Exact Mass: 2979.67
• IUPAC Name: 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: Brc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.Cc1cc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)ccc1Cl.Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F.Cc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3ccc(C)c(C(F)(F)F)c3)nnc2-c2ccccn2)o1.Clc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1Cl.c1ccc(Cc2nnc(SCc3cccnc3)n2Cc2ccco2)nc1
• InChI: InChI=1S/C22H25ClN4S.2C22H19F3N4OS.C21H17F3N4S2.C20H17BrN4OS.C20H16Cl2N4OS.C19H17N5OS/c1-16-13-18(10-11-19(16)23)15-28-22-26-25-21(20-9-5-6-12-24-20)27(22)14-17-7-3-2-4-8-17;1-14-6-8-16(11-18(14)22(23,24)25)13-31-21-28-27-20(19-5-3-4-10-26-19)29(21)12-17-9-7-15(2)30-17;1-15-7-8-16(11-19(15)22(23,24)25)14-31-21-28-27-20(12-17-5-2-3-9-26-17)29(21)13-18-6-4-10-30-18;1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16;21-16-8-6-15(7-9-16)14-27-20-24-23-19(12-17-4-1-2-10-22-17)25(20)13-18-5-3-11-26-18;21-17-7-6-14(10-18(17)22)13-28-20-25-24-19(11-15-4-1-2-8-23-15)26(20)12-16-5-3-9-27-16;1-2-9-21-16(6-1)11-18-22-23-19(24(18)13-17-7-4-10-25-17)26-14-15-5-3-8-20-12-15/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3;3-11H,12-13H2,1-2H3;2-11H,12-14H2,1H3;2-11H,12-13H2,1H3;1-11H,12-14H2;1-10H,11-13H2;1-10,12H,11,13-14H2
• InChIKey: BGPKBJGNVZRDTF-UHFFFAOYSA-N
• XLogP: 37.73
• TPSA: 383.79 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 46
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2984.62
LogP ≤ 5	37.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 157342853) is 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is Brc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.Cc1cc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)ccc1Cl.Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F.Cc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3ccc(C)c(C(F)(F)F)c3)nnc2-c2ccccn2)o1.Clc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1Cl.c1ccc(Cc2nnc(SCc3cccnc3)n2Cc2ccco2)nc1.

What is the InChIKey of 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The InChIKey is BGPKBJGNVZRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4S.2C22H19F3N4OS.C21H17F3N4S2.C20H17BrN4OS.C20H16Cl2N4OS.C19H17N5OS/c1-16-13-18(10-11-19(16)23)15-28-22-26-25-21(20-9-5-6-12-24-20)27(22)14-17-7-3-2-4-8-17;1-14-6-8-16(11-18(14)22(23,24)25)13-31-21-28-27-20(19-5-3-4-10-26-19)29(21)12-17-9-7-15(2)30-17;1-15-7-8-16(11-19(15)22(23,24)25)14-31-21-28-27-20(12-17-5-2-3-9-26-17)29(21)13-18-6-4-10-30-18;1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16;21-16-8-6-15(7-9-16)14-27-20-24-23-19(12-17-4-1-2-10-22-17)25(20)13-18-5-3-11-26-18;21-17-7-6-14(10-18(17)22)13-28-20-25-24-19(11-15-4-1-2-8-23-15)26(20)12-16-5-3-9-27-16;1-2-9-21-16(6-1)11-18-22-23-19(24(18)13-17-7-4-10-25-17)26-14-15-5-3-8-20-12-15/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3;3-11H,12-13H2,1-2H3;2-11H,12-14H2,1H3;2-11H,12-13H2,1H3;1-11H,12-14H2;1-10H,11-13H2;1-10,12H,11,13-14H2.

What are the key properties of 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2984.62 g/mol, XLogP of 37.73, 46 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 157342853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).