4-(2,3-dimethyl-4-methylsulfonyl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-(2,3-dimethyl-4-methylsulfonyl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-(2,3-dimethyl-4-methylsulfonyl-benzoyl)-2-isopropyl-1H-pyrazol-3-one CAS Name: 4-[(2,3-dimethyl-4-methylsulfonylphenyl)-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(2,3-dimethyl-4-methylsulfonylbenzoyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-4-(4-mesyl-2,3-dimethyl-benzoyl)-3-pyrazolin-3-one Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

InChI

InChI=1S/C16H20N2O4S/c1-9(2)18-16(20)13(8-17-18)15(19)12-6-7-14(23(5,21)22)11(4)10(12)3/h6-9,17H,1-5H3