2-ethyl-4-[2-methyl-3-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[2-methyl-3-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-3-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-3-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-mesyl-2-methyl-4-(trifluoromethyl)benzoyl]-3-pyrazolin-3-one Formula: C15H15F3N2O4S MolecularWeight: 376.35081

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)C(F)(F)F)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)C(F)(F)F)S(=O)(=O)C)C

InChI

InChI=1S/C15H15F3N2O4S/c1-4-20-14(22)10(7-19-20)12(21)9-5-6-11(15(16,17)18)13(8(9)2)25(3,23)24/h5-7,19H,4H2,1-3H3