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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C2=CNN(C2=O)C)C)C3=CC(=NO3)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)C2=CNN(C2=O)C)C)C3=CC(=NO3)C)S(=O)(=O)C

InChI

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