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

Systemtic Name: 4-[2-chloranyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(3-methylisoxazol-5-yl)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)C2=C(C=CC(=C2Cl)C(=O)C3=CNN(C3=O)C)S(=O)(=O)C

InChI

InChI=1S/C16H14ClN3O5S/c1-8-6-11(25-19-8)13-12(26(3,23)24)5-4-9(14(13)17)15(21)10-7-18-20(2)16(10)22/h4-7,18H,1-3H3