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

Systemtic Name: 1,2-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 1,2-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 1,2-dimethyl-4-[[4-(methylthio)phenyl]methyl]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 1,2-dimethyl-4-[(4-methylsulfanylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 1,2-dimethyl-4-[4-(methylthio)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)CC2=CC=C(C=C2)SC)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1C)CC2=CC=C(C=C2)SC)C(F)(F)F

InChI

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