2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)propanamide

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)propanamide Openeye Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)propanamide CAS Name: N-(2-mercaptoethyl)-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: 2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-sulfanylethyl)propanamide Traditional Name: N-(2-mercaptoethyl)-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O4S/c1-6(8(14)10-3-4-18)12-5-7(13(15)16)9(11-12)17-2/h5-6,18H,3-4H2,1-2H3,(H,10,14)