4-[3-[3,5-bis(chloranyl)phenyl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-[3,5-bis(chloranyl)phenyl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(3,5-dichlorophenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[3-(3,5-dichlorophenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(3,5-dichlorophenyl)-2-methyl-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(3,5-dichlorophenyl)-4-mesyl-2-methyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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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(=CC(=C3)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O4S/c1-4-24-20(26)16(10-23-24)19(25)15-5-6-17(29(3,27)28)18(11(15)2)12-7-13(21)9-14(22)8-12/h5-10,23H,4H2,1-3H3