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

Systemtic Name: 4-ethanoyl-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazol-3-one Openeye Name: 4-acetyl-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazol-3-one CAS Name: 4-acetyl-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazol-3-one IUPAC Name: 4-acetyl-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrazol-3-one Traditional Name: 4-acetyl-2-(4-mesylphenyl)-5-methyl-3-pyrazolin-3-one Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)C

InChI

InChI=1S/C13H14N2O4S/c1-8-12(9(2)16)13(17)15(14-8)10-4-6-11(7-5-10)20(3,18)19/h4-7,14H,1-3H3