N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4OS/c18-13-7-4-8-14(10-13)22-15(20-21-17(22)24)11-19-16(23)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,23)(H,21,24)