2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

C127H116Cl2N30O4S10 — CID 157373842

About 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine

2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 157373842) has the molecular formula C127H116Cl2N30O4S10 and a molecular weight of 2518.11 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 157373842
• Molecular Formula: C127H116Cl2N30O4S10
• Molecular Weight: 2518.11 g/mol
• Exact Mass: 2514.64
• IUPAC Name: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• SMILES: C#CCSc1nnc(-c2ccccn2)n1Cc1ccco1.Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1.Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1.c1ccc(-c2nnc(SCC3CCCCC3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCC3CCCCC3)n2Cc2cccs2)nc1.c1ccc(-c2nnc(SCc3ccncc3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCc3ccncc3)n2Cc2cccs2)nc1
• InChI: InChI=1S/C19H15ClN4OS.C19H15ClN4S2.C19H22N4OS.C19H22N4S2.C18H15N5OS.C18H15N5S2.C15H12N4OS/c2*20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16;2*1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16;2*1-2-8-20-16(5-1)17-21-22-18(23(17)12-15-4-3-11-24-15)25-13-14-6-9-19-10-7-14;1-2-10-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-9-20-12/h2*1-11H,12-13H2;2*4-6,9-12,15H,1-3,7-8,13-14H2;2*1-11H,12-13H2;1,3-9H,10-11H2
• InChIKey: BKBVVAIXSAWAID-UHFFFAOYSA-N
• XLogP: 30.61
• TPSA: 383.54 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.11
LogP ≤ 5	30.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 157373842) is 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is C#CCSc1nnc(-c2ccccn2)n1Cc1ccco1.Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1.Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1.c1ccc(-c2nnc(SCC3CCCCC3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCC3CCCCC3)n2Cc2cccs2)nc1.c1ccc(-c2nnc(SCc3ccncc3)n2Cc2ccco2)nc1.c1ccc(-c2nnc(SCc3ccncc3)n2Cc2cccs2)nc1.

What is the InChIKey of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

The InChIKey is BKBVVAIXSAWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS.C19H15ClN4S2.C19H22N4OS.C19H22N4S2.C18H15N5OS.C18H15N5S2.C15H12N4OS/c2*20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16;2*1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16;2*1-2-8-20-16(5-1)17-21-22-18(23(17)12-15-4-3-11-24-15)25-13-14-6-9-19-10-7-14;1-2-10-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-9-20-12/h2*1-11H,12-13H2;2*4-6,9-12,15H,1-3,7-8,13-14H2;2*1-11H,12-13H2;1,3-9H,10-11H2.

What are the key properties of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine?

2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 2518.11 g/mol, XLogP of 30.61, 41 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-[(4-chlorophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(cyclohexylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]pyridine;2-[4-(furan-2-ylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 157373842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).