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

Systemtic Name: 4-(3-fluoranyl-2-methyl-4-methylsulfonyl-phenyl)carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-(3-fluoro-2-methyl-4-methylsulfonyl-benzoyl)-2-methyl-1H-pyrazol-3-one CAS Name: 4-[(3-fluoro-2-methyl-4-methylsulfonylphenyl)-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-(3-fluoro-2-methyl-4-methylsulfonylbenzoyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 4-(3-fluoro-4-mesyl-2-methyl-benzoyl)-2-methyl-3-pyrazolin-3-one Formula: C13H13FN2O4S MolecularWeight: 312.316723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

Isomeric SMILES

CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

InChI

InChI=1S/C13H13FN2O4S/c1-7-8(4-5-10(11(7)14)21(3,19)20)12(17)9-6-15-16(2)13(9)18/h4-6,15H,1-3H3