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

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-27-19-16(23(25)26)13-22(21-19)12-11-18(24)20-15-9-5-6-10-17(15)28-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,24)