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

Systemtic Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-tert-butylphenyl)methylene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-(4-tert-butylbenzylidene)-5-[[(4-chlorophenyl)thio]methyl]-2-phenyl-2-pyrazolin-3-one Formula: C27H25ClN2OS MolecularWeight: 461.0182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(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/C27H25ClN2OS/c1-27(2,3)20-11-9-19(10-12-20)17-24-25(18-32-23-15-13-21(28)14-16-23)29-30(26(24)31)22-7-5-4-6-8-22/h4-17H,18H2,1-3H3/b24-17-