2-methyl-4-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[2-methyl-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-methyl-4-[[2-methyl-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-2-methyl-3-(3-methylisoxazol-5-yl)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)C2=C(C=CC(=C2C)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O5S/c1-9-7-13(25-19-9)15-10(2)11(5-6-14(15)26(4,23)24)16(21)12-8-18-20(3)17(12)22/h5-8,18H,1-4H3