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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NNC1=O)C(F)(F)F)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1(C(=NNC1=O)C(F)(F)F)CC2=CC=C(C=C2)SC

InChI

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