N-(2-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide

Systemtic Name: N-(2-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide Openeye Name: N-(2-carbamothioylphenyl)-3-pyrazol-1-yl-propanamide CAS Name: N-(2-carbamothioylphenyl)-3-(1-pyrazolyl)propanamide IUPAC Name: N-(2-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide Traditional Name: 3-pyrazol-1-yl-N-(2-thiocarbamoylphenyl)propionamide Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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