[4-(2,4-dichlorophenyl)carbonyl-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(2,4-dichlorobenzoyl)-2-ethyl-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-2-ethyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-2-ethyl-5-methylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2,4-dichlorobenzoyl)-2-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)C2=C(C=C(C=C2)Cl)Cl)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

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