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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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