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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NCCS

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NCCS

InChI

InChI=1S/C9H14N4O4S/c1-17-9-7(13(15)16)6-12(11-9)4-2-8(14)10-3-5-18/h6,18H,2-5H2,1H3,(H,10,14)