N-(3-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide

Systemtic Name: N-(3-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(1-pyrazolyl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide Traditional Name: 3-pyrazol-1-yl-N-(3-thiocarbamoylphenyl)propionamide Formula: C13H14N4OS MolecularWeight: 274.34146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4OS/c14-13(19)10-3-1-4-11(9-10)16-12(18)5-8-17-7-2-6-15-17/h1-4,6-7,9H,5,8H2,(H2,14,19)(H,16,18)