2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

C142H133BrClF3N28O3S9 — CID 158937163

About 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 158937163) has the molecular formula C142H133BrClF3N28O3S9 and a molecular weight of 2740.77 g/mol. Its IUPAC name is 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 158937163
• Molecular Formula: C142H133BrClF3N28O3S9
• Molecular Weight: 2740.77 g/mol
• Exact Mass: 2736.74
• IUPAC Name: 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: C=CCSc1nnc(-c2ccccn2)n1Cc1cccs1.Cc1ccc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)cc1C.Cc1ccc(Cn2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)o1.Cc1ccc(Cn2c(SCc3ccccc3)nnc2-c2ccccn2)o1.FC(F)(F)c1ccc(Cl)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1.c1ccc(-c2nnc(SCc3ccc4ccccc4c3)n2Cc2ccco2)nc1.c1ccc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)cc1
• InChI: InChI=1S/C23H18N4OS.C23H28N4S.C21H24N4S.C20H17BrN4OS.C20H14ClF3N4S2.C20H18N4OS.C15H14N4S2/c1-2-7-19-14-17(10-11-18(19)6-1)16-29-23-26-25-22(21-9-3-4-12-24-21)27(23)15-20-8-5-13-28-20;1-17-11-12-20(14-18(17)2)16-28-23-26-25-22(21-10-6-7-13-24-21)27(23)15-19-8-4-3-5-9-19;1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18;1-14-5-10-17(26-14)12-25-19(18-4-2-3-11-22-18)23-24-20(25)27-13-15-6-8-16(21)9-7-15;21-16-7-6-14(20(22,23)24)10-13(16)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-15-4-3-9-29-15;1-15-10-11-17(25-15)13-24-19(18-9-5-6-12-21-18)22-23-20(24)26-14-16-7-3-2-4-8-16;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/h1-14H,15-16H2;6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3;2,5-8,11-14,17H,1,3-4,9-10,15-16H2;2-11H,12-13H2,1H3;1-10H,11-12H2;2-12H,13-14H2,1H3;2-8,10H,1,9,11H2
• InChIKey: JJUHQQZGHPMGNT-UHFFFAOYSA-N
• XLogP: 36.54
• TPSA: 344.62 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.77
LogP ≤ 5	36.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 158937163) is 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

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

The canonical SMILES for 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is C=CCSc1nnc(-c2ccccn2)n1Cc1cccs1.Cc1ccc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)cc1C.Cc1ccc(Cn2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)o1.Cc1ccc(Cn2c(SCc3ccccc3)nnc2-c2ccccn2)o1.FC(F)(F)c1ccc(Cl)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1.c1ccc(-c2nnc(SCc3ccc4ccccc4c3)n2Cc2ccco2)nc1.c1ccc(CSc2nnc(-c3ccccn3)n2CC2CCCCC2)cc1.

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

The InChIKey is JJUHQQZGHPMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS.C23H28N4S.C21H24N4S.C20H17BrN4OS.C20H14ClF3N4S2.C20H18N4OS.C15H14N4S2/c1-2-7-19-14-17(10-11-18(19)6-1)16-29-23-26-25-22(21-9-3-4-12-24-21)27(23)15-20-8-5-13-28-20;1-17-11-12-20(14-18(17)2)16-28-23-26-25-22(21-10-6-7-13-24-21)27(23)15-19-8-4-3-5-9-19;1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18;1-14-5-10-17(26-14)12-25-19(18-4-2-3-11-22-18)23-24-20(25)27-13-15-6-8-16(21)9-7-15;21-16-7-6-14(20(22,23)24)10-13(16)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-15-4-3-9-29-15;1-15-10-11-17(25-15)13-24-19(18-9-5-6-12-21-18)22-23-20(24)26-14-16-7-3-2-4-8-16;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/h1-14H,15-16H2;6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3;2,5-8,11-14,17H,1,3-4,9-10,15-16H2;2-11H,12-13H2,1H3;1-10H,11-12H2;2-12H,13-14H2,1H3;2-8,10H,1,9,11H2.

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

2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2740.77 g/mol, XLogP of 36.54, 42 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-benzylsulfanyl-4-(cyclohexylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-benzylsulfanyl-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-bromophenyl)methylsulfanyl]-4-[(5-methylfuran-2-yl)methyl]-1,2,4-triazol-3-yl]pyridine;2-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(cyclohexylmethyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-prop-2-enylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 158937163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).