2-methyl-5-(4-methylsulfonylphenyl)carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-methyl-5-(4-methylsulfonylbenzoyl)-1H-pyrazol-3-one CAS Name: 2-methyl-5-[(4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-(4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 5-(4-mesylbenzoyl)-2-methyl-3-pyrazolin-3-one Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C=C(N1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H12N2O4S/c1-14-11(15)7-10(13-14)12(16)8-3-5-9(6-4-8)19(2,17)18/h3-7,13H,1-2H3