[2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethyl]-5-methylpyrazol-3-yl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [2-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-pyrazol-3-yl] ester Formula: C20H20Cl2N2O3S MolecularWeight: 439.3554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2C(C)C3=CC(=C(C=C3)Cl)Cl)C)C

InChI

InChI=1S/C20H20Cl2N2O3S/c1-12-5-7-17(9-13(12)2)28(25,26)27-20-10-14(3)23-24(20)15(4)16-6-8-18(21)19(22)11-16/h5-11,15H,1-4H3