(4E)-5-(methylsulfanylmethyl)-2-(4-nitrophenyl)-4-[(oxidanylamino)methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-(methylsulfanylmethyl)-2-(4-nitrophenyl)-4-[(oxidanylamino)methylidene]pyrazol-3-one Openeye Name: (4E)-4-[(hydroxyamino)methylene]-5-(methylsulfanylmethyl)-2-(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-4-[(hydroxyamino)methylidene]-5-[(methylthio)methyl]-2-(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(hydroxyamino)methylidene]-5-(methylsulfanylmethyl)-2-(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-4-[(hydroxyamino)methylene]-5-[(methylthio)methyl]-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NN(C(=O)C1=CNO)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC\1=NN(C(=O)/C1=C/NO)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c1-21-7-11-10(6-13-18)12(17)15(14-11)8-2-4-9(5-3-8)16(19)20/h2-6,13,18H,7H2,1H3/b10-6+