N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide

Systemtic Name: N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Openeye Name: N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide CAS Name: N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide IUPAC Name: N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Traditional Name: N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide Formula: C10H9N5OS MolecularWeight: 247.27636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2

InChI

InChI=1S/C10H9N5OS/c16-9(8-4-2-1-3-5-8)13-10(17)14-15-6-11-12-7-15/h1-7H,(H2,13,14,16,17)