2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

C100H81ClF6N24O2S5 — CID 159593139

About 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 159593139) has the molecular formula C100H81ClF6N24O2S5 and a molecular weight of 1960.69 g/mol. Its IUPAC name is 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 159593139
• Molecular Formula: C100H81ClF6N24O2S5
• Molecular Weight: 1960.69 g/mol
• Exact Mass: 1958.52
• IUPAC Name: 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: Cc1ccc(Cn2c(SCc3cccnc3)nnc2-c2ccccn2)o1.FC(F)(F)c1ccc(Cl)c(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)c1.Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1.Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccnc1.c1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1
• InChI: InChI=1S/C21H15ClF3N5S.C20H15F2N5S.C20H16FN5S.C20H18N4OS.C19H17N5OS/c22-17-7-6-16(21(23,24)25)10-15(17)13-31-20-29-28-19(18-5-1-2-9-27-18)30(20)12-14-4-3-8-26-11-14;21-16-6-3-7-17(22)15(16)13-28-20-26-25-19(18-8-1-2-10-24-18)27(20)12-14-5-4-9-23-11-14;21-17-8-6-15(7-9-17)14-27-20-25-24-19(18-5-1-2-11-23-18)26(20)13-16-4-3-10-22-12-16;1-2-7-16(8-3-1)15-26-20-23-22-19(13-17-9-4-5-11-21-17)24(20)14-18-10-6-12-25-18;1-14-7-8-16(25-14)12-24-18(17-6-2-3-10-21-17)22-23-19(24)26-13-15-5-4-9-20-11-15/h1-11H,12-13H2;1-11H,12-13H2;1-12H,13-14H2;1-12H,13-15H2;2-11H,12-13H2,1H3
• InChIKey: MKMLHJRKBITKQY-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 295.84 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.69
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CID 159593139) is 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is Cc1ccc(Cn2c(SCc3cccnc3)nnc2-c2ccccn2)o1.FC(F)(F)c1ccc(Cl)c(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)c1.Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1.Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccnc1.c1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.

What is the InChIKey of 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?

The InChIKey is MKMLHJRKBITKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5S.C20H15F2N5S.C20H16FN5S.C20H18N4OS.C19H17N5OS/c22-17-7-6-16(21(23,24)25)10-15(17)13-31-20-29-28-19(18-5-1-2-9-27-18)30(20)12-14-4-3-8-26-11-14;21-16-6-3-7-17(22)15(16)13-28-20-26-25-19(18-8-1-2-10-24-18)27(20)12-14-5-4-9-23-11-14;21-17-8-6-15(7-9-17)14-27-20-25-24-19(18-5-1-2-11-23-18)26(20)13-16-4-3-10-22-12-16;1-2-7-16(8-3-1)15-26-20-23-22-19(13-17-9-4-5-11-21-17)24(20)14-18-10-6-12-25-18;1-14-7-8-16(25-14)12-24-18(17-6-2-3-10-21-17)22-23-19(24)26-13-15-5-4-9-20-11-15/h1-11H,12-13H2;1-11H,12-13H2;1-12H,13-14H2;1-12H,13-15H2;2-11H,12-13H2,1H3.

What are the key properties of 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?

2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1960.69 g/mol, XLogP of 22.49, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 159593139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).