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

Systemtic Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-methoxyphenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-methoxyphenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-[[(4-chlorophenyl)thio]methyl]-4-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[(4-methoxyphenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-[[(4-chlorophenyl)thio]methyl]-4-p-anisylidene-2-phenyl-2-pyrazolin-3-one Formula: C24H19ClN2O2S MolecularWeight: 434.93786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H19ClN2O2S/c1-29-20-11-7-17(8-12-20)15-22-23(16-30-21-13-9-18(25)10-14-21)26-27(24(22)28)19-5-3-2-4-6-19/h2-15H,16H2,1H3/b22-15+