3-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide

Systemtic Name: 3-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide Openeye Name: 3-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide CAS Name: N-(2-mercaptoethyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: 3-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide Traditional Name: N-(2-mercaptoethyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C8H12N4O3S MolecularWeight: 244.27088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)NCCS)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CCC(=O)NCCS)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O3S/c13-8(9-2-4-16)1-3-11-6-7(5-10-11)12(14)15/h5-6,16H,1-4H2,(H,9,13)