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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS)N1C=C(C=N1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCS)N1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O3S/c1-6(8(13)9-2-3-16)11-5-7(4-10-11)12(14)15/h4-6,16H,2-3H2,1H3,(H,9,13)