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

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)acetamide CAS Name: N-(2-mercaptoethyl)-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)acetamide Traditional Name: N-(2-mercaptoethyl)-2-(4-nitropyrazol-1-yl)acetamide Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CC(=O)NCCS)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CC(=O)NCCS)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O3S/c12-7(8-1-2-15)5-10-4-6(3-9-10)11(13)14/h3-4,15H,1-2,5H2,(H,8,12)