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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

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