(4Z)-5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-methyl-4-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-methyl-4-[[5-nitro-2-(2-pyridinylthio)phenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-methyl-4-[5-nitro-2-(2-pyridylthio)benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O3S/c1-15-19(22(27)25(24-15)17-7-3-2-4-8-17)14-16-13-18(26(28)29)10-11-20(16)30-21-9-5-6-12-23-21/h2-14H,1H3/b19-14-