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

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

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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=NOC=C3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOC=C3)C

InChI

InChI=1S/C17H17N3O5S/c1-4-20-17(22)12(9-18-20)16(21)11-5-6-14(26(3,23)24)15(10(11)2)13-7-8-25-19-13/h5-9,18H,4H2,1-3H3