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

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-[4-(trifluoromethyloxy)phenyl]phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-[4-(trifluoromethoxy)phenyl]benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-[4-(trifluoromethoxy)phenyl]phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-[4-(trifluoromethoxy)phenyl]benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzoyl]-3-pyrazolin-3-one Formula: C21H19F3N2O5S MolecularWeight: 468.44617

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC(F)(F)F)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC(F)(F)F)C

InChI

InChI=1S/C21H19F3N2O5S/c1-4-26-20(28)16(11-25-26)19(27)15-9-10-17(32(3,29)30)18(12(15)2)13-5-7-14(8-6-13)31-21(22,23)24/h5-11,25H,4H2,1-3H3