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

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)butanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)butanamide CAS Name: N-(2-mercaptoethyl)-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)butanamide Traditional Name: N-(2-mercaptoethyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O3S/c1-2-8(9(14)10-3-4-17)12-6-7(5-11-12)13(15)16/h5-6,8,17H,2-4H2,1H3,(H,10,14)