(4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-4-[(4-benzyloxyphenyl)methylene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-4-[(4-phenylmethoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-4-(4-benzoxybenzylidene)-5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-2-pyrazolin-3-one Formula: C30H23ClN2O2S MolecularWeight: 511.03382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C\3/C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H23ClN2O2S/c31-24-13-17-27(18-14-24)36-21-29-28(30(34)33(32-29)25-9-5-2-6-10-25)19-22-11-15-26(16-12-22)35-20-23-7-3-1-4-8-23/h1-19H,20-21H2/b28-19-