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

Systemtic Name: N-(3-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-(3-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(=CC(=C1)NC(=O)CCN2C=NC=N2)C(=S)N

Isomeric SMILES

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

InChI

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