4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-phenyl-4-(p-tolylsulfanyl)-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-[(4-methylphenyl)thio]-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-phenyl-4-(p-tolylthio)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2OS/c1-11-7-9-13(10-8-11)24-14-15(17(18,19)20)21-22(16(14)23)12-5-3-2-4-6-12/h2-10,21H,1H3