2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(propan-2-yloxymethyl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(propan-2-yloxymethyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[3-(isopropoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-(propan-2-yloxymethyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(propan-2-yloxymethyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-(isopropoxymethyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C18H24N2O5S MolecularWeight: 380.45856

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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)COC(C)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COC(C)C)C

InChI

InChI=1S/C18H24N2O5S/c1-6-20-18(22)14(9-19-20)17(21)13-7-8-16(26(5,23)24)15(12(13)4)10-25-11(2)3/h7-9,11,19H,6,10H2,1-5H3