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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1[N+](=O)[O-])CCC(=O)NCCS

Isomeric SMILES

C1=CN(N=C1[N+](=O)[O-])CCC(=O)NCCS

InChI

InChI=1S/C8H12N4O3S/c13-8(9-3-6-16)2-5-11-4-1-7(10-11)12(14)15/h1,4,16H,2-3,5-6H2,(H,9,13)