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

Systemtic Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3Cl

InChI

InChI=1S/C16H13ClN4OS/c17-12-8-4-5-9-13(12)21-14(19-20-16(21)23)10-18-15(22)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,22)(H,20,23)