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

Systemtic Name: 5-[2-chloranyl-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 5-[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 5-[[2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-[2-chloro-3-(4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 5-[2-chloro-3-(2-isoxazolin-3-yl)-4-mesyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C15H14ClN3O5S MolecularWeight: 383.80676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOCC3)Cl

Isomeric SMILES

CN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=NOCC3)Cl

InChI

InChI=1S/C15H14ClN3O5S/c1-19-12(20)7-10(17-19)15(21)8-3-4-11(25(2,22)23)13(14(8)16)9-5-6-24-18-9/h3-4,7,17H,5-6H2,1-2H3