N-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamothioyl]benzamide

Systemtic Name: N-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamothioyl]benzamide Openeye Name: N-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamothioyl]benzamide CAS Name: N-[[(5-phenyl-1H-1,2,4-triazol-3-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamothioyl]benzamide Traditional Name: N-[(5-phenyl-1H-1,2,4-triazol-3-yl)thiocarbamoyl]benzamide Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N5OS/c22-14(12-9-5-2-6-10-12)18-16(23)19-15-17-13(20-21-15)11-7-3-1-4-8-11/h1-10H,(H3,17,18,19,20,21,22,23)