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

Systemtic Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H16ClN3O3S/c1-15-20(23(28)26(25-15)18-5-3-2-4-6-18)13-16-7-12-22(21(14-16)27(29)30)31-19-10-8-17(24)9-11-19/h2-14H,1H3/b20-13+