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

Systemtic Name: 2,5-dimethyl-4-(4-methylsulfonylphenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(4-methylsulfonylbenzoyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(4-methylsulfonylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(4-methylsulfonylbenzoyl)-1H-pyrazol-3-one Traditional Name: 4-(4-mesylbenzoyl)-2,5-dimethyl-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)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

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