N-(4-carbamothioylphenyl)-2-(1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(4-carbamothioylphenyl)-2-(1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(4-carbamothioylphenyl)-2-(1,2,4-triazol-1-yl)acetamide CAS Name: N-(4-carbamothioylphenyl)-2-(1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(4-carbamothioylphenyl)-2-(1,2,4-triazol-1-yl)acetamide Traditional Name: N-(4-thiocarbamoylphenyl)-2-(1,2,4-triazol-1-yl)acetamide Formula: C11H11N5OS MolecularWeight: 261.30294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)NC(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)NC(=O)CN2C=NC=N2

InChI

InChI=1S/C11H11N5OS/c12-11(18)8-1-3-9(4-2-8)15-10(17)5-16-7-13-6-14-16/h1-4,6-7H,5H2,(H2,12,18)(H,15,17)