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

Systemtic Name: 2-ethyl-4-[2-methyl-3-(3-methylphenyl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(m-tolyl)benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-3-(3-methylphenyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-3-(3-methylphenyl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-2-methyl-3-(m-tolyl)benzoyl]-3-pyrazolin-3-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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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=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-5-23-21(25)17(12-22-23)20(24)16-9-10-18(28(4,26)27)19(14(16)3)15-8-6-7-13(2)11-15/h6-12,22H,5H2,1-4H3