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

Systemtic Name: 2-tert-butyl-4-[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[2-chloro-3-(2-isoxazolin-3-yl)-4-mesyl-benzoyl]-3-pyrazolin-3-one Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOCC3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOCC3)Cl

InChI

InChI=1S/C18H20ClN3O5S/c1-18(2,3)22-17(24)11(9-20-22)16(23)10-5-6-13(28(4,25)26)14(15(10)19)12-7-8-27-21-12/h5-6,9,20H,7-8H2,1-4H3