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

Systemtic Name: 2-ethyl-4-[3-(2-fluoranyl-4-methoxy-phenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[3-(2-fluoro-4-methoxy-phenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[3-(2-fluoro-4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[3-(2-fluoro-4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-(2-fluoro-4-methoxy-phenyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C21H21FN2O5S MolecularWeight: 432.465243

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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=C(C=C(C=C3)OC)F)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S/c1-5-24-21(26)16(11-23-24)20(25)14-8-9-18(30(4,27)28)19(12(14)2)15-7-6-13(29-3)10-17(15)22/h6-11,23H,5H2,1-4H3