2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C20H20ClN5OS/c21-15-7-9-17(10-8-15)26-19(14-4-3-11-22-12-14)24-25-20(26)28-13-18(27)23-16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,27)