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

Systemtic Name: 2-ethyl-4-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-3-(3-methylisoxazol-5-yl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-3-(3-methyl-5-isoxazolyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-2-methyl-3-(3-methylisoxazol-5-yl)benzoyl]-3-pyrazolin-3-one Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=NO3)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=NO3)C)C

InChI

InChI=1S/C18H19N3O5S/c1-5-21-18(23)13(9-19-21)17(22)12-6-7-15(27(4,24)25)16(11(12)3)14-8-10(2)20-26-14/h6-9,19H,5H2,1-4H3