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

Systemtic Name: 2-ethyl-4-(2-methyl-4-methylsulfonyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(2-methyl-4-methylsulfonyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(2-methyl-4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(2-methyl-4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(4-mesyl-2-methyl-benzoyl)-3-pyrazolin-3-one Formula: C14H16N2O4S MolecularWeight: 308.35284

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-4-16-14(18)12(8-15-16)13(17)11-6-5-10(7-9(11)2)21(3,19)20/h5-8,15H,4H2,1-3H3