(4Z)-4-[(4-tert-butylphenyl)methylidene]-3-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-5-one

Systemtic Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-3-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-5-one Openeye Name: (4Z)-4-[(4-tert-butylphenyl)methylene]-3-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-5-one CAS Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-3-[[(4-chlorophenyl)thio]methyl]-1H-pyrazol-5-one IUPAC Name: (4Z)-4-[(4-tert-butylphenyl)methylidene]-3-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-5-one Traditional Name: (4Z)-4-(4-tert-butylbenzylidene)-5-[[(4-chlorophenyl)thio]methyl]-2-pyrazolin-3-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=NNC2=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=NNC2=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-21(2,3)15-6-4-14(5-7-15)12-18-19(23-24-20(18)25)13-26-17-10-8-16(22)9-11-17/h4-12H,13H2,1-3H3,(H,24,25)/b18-12-