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

Systemtic Name: 2-ethyl-4-[3-(2-fluorophenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[3-(2-fluorophenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[3-(2-fluorophenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[3-(2-fluorophenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-(2-fluorophenyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C20H19FN2O4S MolecularWeight: 402.439263

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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=CC=C3F)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3F)C

InChI

InChI=1S/C20H19FN2O4S/c1-4-23-20(25)15(11-22-23)19(24)13-9-10-17(28(3,26)27)18(12(13)2)14-7-5-6-8-16(14)21/h5-11,22H,4H2,1-3H3