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

C125H110Cl6F6N24O3S8 — CID 160859984

About 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 160859984) has the molecular formula C125H110Cl6F6N24O3S8 and a molecular weight of 2579.66 g/mol. Its IUPAC name is 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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: 160859984
• Molecular Formula: C125H110Cl6F6N24O3S8
• Molecular Weight: 2579.66 g/mol
• Exact Mass: 2574.50
• IUPAC Name: 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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: Cc1cc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)ccc1Cl.Cc1cc(Cl)ccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1.Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3ccc(C)c(C(F)(F)F)c3)nnc2-c2ccccn2)o1.Cc1ccc(Cn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccn2)o1.Clc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1Cl
• InChI: InChI=1S/C22H25ClN4S.C22H19F3N4OS.C21H17F3N4S2.2C20H16Cl2N4OS.C20H17ClN4S2/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;1-14-7-8-15(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;1-13-5-7-15(27-13)11-26-19(18-4-2-3-9-23-18)24-25-20(26)28-12-14-6-8-16(21)17(22)10-14;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;1-14-11-16(21)8-7-15(14)13-27-20-24-23-19(18-6-2-3-9-22-18)25(20)12-17-5-4-10-26-17/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3;3-11H,12-13H2,1-2H3;2-11H,12-13H2,1H3;2-10H,11-12H2,1H3;1-10H,11-13H2;2-11H,12-13H2,1H3
• InChIKey: SKIVUFNHQGHXNW-UHFFFAOYSA-N
• XLogP: 35.25
• TPSA: 301.02 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.66
LogP ≤ 5	35.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 160859984) is 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 Cc1cc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)ccc1Cl.Cc1cc(Cl)ccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1.Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1C(F)(F)F.Cc1ccc(Cn2c(SCc3ccc(C)c(C(F)(F)F)c3)nnc2-c2ccccn2)o1.Cc1ccc(Cn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccn2)o1.Clc1ccc(CSc2nnc(Cc3ccccn3)n2Cc2ccco2)cc1Cl.

What is the InChIKey of 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 SKIVUFNHQGHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4S.C22H19F3N4OS.C21H17F3N4S2.2C20H16Cl2N4OS.C20H17ClN4S2/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;1-14-7-8-15(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;1-13-5-7-15(27-13)11-26-19(18-4-2-3-9-23-18)24-25-20(26)28-12-14-6-8-16(21)17(22)10-14;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;1-14-11-16(21)8-7-15(14)13-27-20-24-23-19(18-6-2-3-9-22-18)25(20)12-17-5-4-10-26-17/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3;3-11H,12-13H2,1-2H3;2-11H,12-13H2,1H3;2-10H,11-12H2,1H3;1-10H,11-13H2;2-11H,12-13H2,1H3.

What are the key properties of 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 2579.66 g/mol, XLogP of 35.25, 37 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4-chloro-3-methylphenyl)methylsulfanyl]-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chloro-2-methylphenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-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-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]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 160859984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).