N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[sulfanylidene-[4-(1,2,4-triazol-1-yl)anilino]methyl]benzamide IUPAC Name: N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(1,2,4-triazol-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C16H13N5OS/c22-15(12-4-2-1-3-5-12)20-16(23)19-13-6-8-14(9-7-13)21-11-17-10-18-21/h1-11H,(H2,19,20,22,23)