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

Systemtic Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-pyrazol-3-one Openeye Name: (4Z)-4-[(4-tert-butylphenyl)methylene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-pyrazol-3-one CAS Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[[(4-chlorophenyl)thio]methyl]-2-methyl-3-pyrazolone IUPAC Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-5-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrazol-3-one Traditional Name: (4Z)-4-(4-tert-butylbenzylidene)-5-[[(4-chlorophenyl)thio]methyl]-2-methyl-2-pyrazolin-3-one Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=NN(C2=O)C)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=NN(C2=O)C)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2OS/c1-22(2,3)16-7-5-15(6-8-16)13-19-20(24-25(4)21(19)26)14-27-18-11-9-17(23)10-12-18/h5-13H,14H2,1-4H3/b19-13-