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

Systemtic Name: [4-(2,4-dichlorophenyl)carbonyl-5-methyl-2-prop-2-enyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-allyl-4-(2,4-dichlorobenzoyl)-5-methyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2,4-dichlorophenyl)-oxomethyl]-5-methyl-2-prop-2-enyl-3-pyrazolyl] ester IUPAC Name: [4-(2,4-dichlorobenzoyl)-5-methyl-2-prop-2-enylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-allyl-4-(2,4-dichlorobenzoyl)-5-methyl-pyrazol-3-yl] ester Formula: C21H18Cl2N2O4S MolecularWeight: 465.34962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2CC=C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2CC=C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O4S/c1-4-11-25-21(29-30(27,28)16-8-5-13(2)6-9-16)19(14(3)24-25)20(26)17-10-7-15(22)12-18(17)23/h4-10,12H,1,11H2,2-3H3