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

C120H103BrF5N27O5S6 — CID 161326171

About 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 161326171) has the molecular formula C120H103BrF5N27O5S6 and a molecular weight of 2370.62 g/mol. Its IUPAC name is 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 161326171
• Molecular Formula: C120H103BrF5N27O5S6
• Molecular Weight: 2370.62 g/mol
• Exact Mass: 2367.61
• IUPAC Name: 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: Brc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.Cc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3cccnc3)nnc2-c2ccccn2)o1.Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccnc1.c1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.c1ccc(Cc2nnc(SCc3cccnc3)n2Cc2ccco2)nc1
• InChI: InChI=1S/C22H19F3N4OS.C20H17BrN4OS.C20H15F2N5S.C20H18N4OS.2C19H17N5OS/c1-15-7-8-16(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;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;21-16-6-3-7-17(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;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;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/h2-11H,12-14H2,1H3;1-11H,12-14H2;1-11H,12-13H2;1-12H,13-15H2;2-11H,12-13H2,1H3;1-10,12H,11,13-14H2
• InChIKey: VKUJFKFNWRHKRF-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 365.97 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.62
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CID 161326171) is 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is Brc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.Cc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3cccnc3)nnc2-c2ccccn2)o1.Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccnc1.c1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1.c1ccc(Cc2nnc(SCc3cccnc3)n2Cc2ccco2)nc1.

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

The InChIKey is VKUJFKFNWRHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4OS.C20H17BrN4OS.C20H15F2N5S.C20H18N4OS.2C19H17N5OS/c1-15-7-8-16(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;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;21-16-6-3-7-17(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;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;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/h2-11H,12-14H2,1H3;1-11H,12-14H2;1-11H,12-13H2;1-12H,13-15H2;2-11H,12-13H2,1H3;1-10,12H,11,13-14H2.

What are the key properties of 2-[[5-benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2370.62 g/mol, XLogP of 26.61, 40 rotatable bonds, 0 hydrogen bond donors, and 38 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-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]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-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 161326171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).