3-(4-chlorophenyl)-3-oxidanylidene-N-phenyl-2-(1,2,4-triazol-1-yl)propanethioamide

Systemtic Name: 3-(4-chlorophenyl)-3-oxidanylidene-N-phenyl-2-(1,2,4-triazol-1-yl)propanethioamide Openeye Name: 3-(4-chlorophenyl)-3-oxo-N-phenyl-2-(1,2,4-triazol-1-yl)propanethioamide CAS Name: 3-(4-chlorophenyl)-3-oxo-N-phenyl-2-(1,2,4-triazol-1-yl)propanethioamide IUPAC Name: 3-(4-chlorophenyl)-3-oxo-N-phenyl-2-(1,2,4-triazol-1-yl)propanethioamide Traditional Name: 3-(4-chlorophenyl)-3-keto-N-phenyl-2-(1,2,4-triazol-1-yl)thiopropionamide Formula: C17H13ClN4OS MolecularWeight: 356.82932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(C(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C(C(=O)C2=CC=C(C=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C17H13ClN4OS/c18-13-8-6-12(7-9-13)16(23)15(22-11-19-10-20-22)17(24)21-14-4-2-1-3-5-14/h1-11,15H,(H,21,24)