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

C142H128Cl2N34O4S12 — CID 158826202

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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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 158826202) has the molecular formula C142H128Cl2N34O4S12 and a molecular weight of 2830.53 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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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: 158826202
• Molecular Formula: C142H128Cl2N34O4S12
• Molecular Weight: 2830.53 g/mol
• Exact Mass: 2826.69
• 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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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.C#CCSc1nnc(-c2ccccn2)n1Cc1cccs1.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.C15H12N4S2/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;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/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;1,3-8,10H,9,11H2
• InChIKey: IWMIJTYORLBZRQ-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 427.14 Ų
• H-Bond Acceptors: 50
• Rotatable Bonds: 46
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2830.53
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[5-(pyridin-4-ylmethylsulfanyl)-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine (CID 158826202) 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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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.C#CCSc1nnc(-c2ccccn2)n1Cc1cccs1.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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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 IWMIJTYORLBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS.C19H15ClN4S2.C19H22N4OS.C19H22N4S2.C18H15N5OS.C18H15N5S2.C15H12N4OS.C15H12N4S2/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;1-2-9-21-15-18-17-14(13-7-3-4-8-16-13)19(15)11-12-6-5-10-20-12/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;1,3-8,10H,9,11H2.

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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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 2830.53 g/mol, XLogP of 33.79, 46 rotatable bonds, 0 hydrogen bond donors, and 50 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-prop-2-ynylsulfanyl-4-(thiophen-2-ylmethyl)-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 158826202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).