(4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-dimethylaminophenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-[[(4-chlorophenyl)thio]methyl]-4-[(4-dimethylaminophenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-[[(4-chlorophenyl)thio]methyl]-4-[4-(dimethylamino)benzylidene]-2-phenyl-2-pyrazolin-3-one Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3OS/c1-28(2)20-12-8-18(9-13-20)16-23-24(17-31-22-14-10-19(26)11-15-22)27-29(25(23)30)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3/b23-16+