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

Systemtic Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)pyrazol-3-one Openeye Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)pyrazol-3-one CAS Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)-3-pyrazolone IUPAC Name: 1,2-dimethyl-5-(4-methylsulfonylphenyl)pyrazol-3-one Traditional Name: 5-(4-mesylphenyl)-1,2-dimethyl-3-pyrazolin-3-one Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN1C(=CC(=O)N1C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H14N2O3S/c1-13-11(8-12(15)14(13)2)9-4-6-10(7-5-9)18(3,16)17/h4-8H,1-3H3