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

Systemtic Name: 2-tert-butyl-4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[3-(2-isoxazolin-3-yl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

InChI

InChI=1S/C19H23N3O5S/c1-11-12(17(23)13-10-20-22(18(13)24)19(2,3)4)6-7-15(28(5,25)26)16(11)14-8-9-27-21-14/h6-7,10,20H,8-9H2,1-5H3