2,4-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2,4-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2,4-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2,4-dimethyl-4-[[4-(methylthio)phenyl]methyl]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2,4-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2,4-dimethyl-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C)C(F)(F)F)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1(C(=NN(C1=O)C)C(F)(F)F)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H15F3N2OS/c1-13(8-9-4-6-10(21-3)7-5-9)11(14(15,16)17)18-19(2)12(13)20/h4-7H,8H2,1-3H3