5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one CAS Name: 5-cyclopropyl-2-methyl-4-[[2-(methylthio)-4-(trifluoromethyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 5-cyclopropyl-2-methyl-4-[2-methylsulfanyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 5-cyclopropyl-2-methyl-4-[2-(methylthio)-4-(trifluoromethyl)benzoyl]-3-pyrazolin-3-one Formula: C16H15F3N2O2S MolecularWeight: 356.36271

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1)C2CC2)C(=O)C3=C(C=C(C=C3)C(F)(F)F)SC

Isomeric SMILES

CN1C(=O)C(=C(N1)C2CC2)C(=O)C3=C(C=C(C=C3)C(F)(F)F)SC

InChI

InChI=1S/C16H15F3N2O2S/c1-21-15(23)12(13(20-21)8-3-4-8)14(22)10-6-5-9(16(17,18)19)7-11(10)24-2/h5-8,20H,3-4H2,1-2H3