(4E)-5-methyl-4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[3-nitro-4-(p-tolylthio)benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C24H19N3O3S MolecularWeight: 429.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O3S/c1-16-8-11-20(12-9-16)31-23-13-10-18(15-22(23)27(29)30)14-21-17(2)25-26(24(21)28)19-6-4-3-5-7-19/h3-15H,1-2H3/b21-14+