N-(4-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(4-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(4-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-(4-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(4-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-(4-thiocarbamoylphenyl)-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H13N5OS MolecularWeight: 275.32952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H13N5OS/c13-12(19)9-1-3-10(4-2-9)16-11(18)5-6-17-8-14-7-15-17/h1-4,7-8H,5-6H2,(H2,13,19)(H,16,18)