2-methyl-4-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 1-methyl-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C12H11F3N2OS MolecularWeight: 288.28875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1)C2=CC=C(C=C2)SC)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1)C2=CC=C(C=C2)SC)C(F)(F)F

InChI

InChI=1S/C12H11F3N2OS/c1-17-10(12(13,14)15)9(11(18)16-17)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H,16,18)