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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5OS/c21-16-10-8-15(9-11-16)19-23-24-20(26(19)25-12-4-5-13-25)28-14-18(27)22-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,22,27)