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

Systemtic Name: 2-methyl-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 2-methyl-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 2-methyl-4-[[4-(methylthio)phenyl]methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 2-methyl-4-[(4-methylsulfanylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 1-methyl-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H13F3N2OS MolecularWeight: 302.31533

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1)CC2=CC=C(C=C2)SC)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1)CC2=CC=C(C=C2)SC)C(F)(F)F

InChI

InChI=1S/C13H13F3N2OS/c1-18-11(13(14,15)16)10(12(19)17-18)7-8-3-5-9(20-2)6-4-8/h3-6H,7H2,1-2H3,(H,17,19)