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

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(4-prop-2-enoxyphenyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 4-[3-(4-allyloxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-(4-prop-2-enoxyphenyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(4-prop-2-enoxyphenyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[3-(4-allyloxyphenyl)-4-mesyl-2-methyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C23H24N2O5S MolecularWeight: 440.51206

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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=C(C=C3)OCC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-5-13-30-17-9-7-16(8-10-17)21-15(3)18(11-12-20(21)31(4,28)29)22(26)19-14-24-25(6-2)23(19)27/h5,7-12,14,24H,1,6,13H2,2-4H3