2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[2-mesyl-4-(trifluoromethyl)benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,18H,1-3H3