3-[4-[(2,4-dichlorophenyl)methyl]-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate

Systemtic Name: 3-[4-[(2,4-dichlorophenyl)methyl]-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate Openeye Name: 3-[4-[(2,4-dichlorophenyl)methyl]-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate CAS Name: 3-[4-[(2,4-dichlorophenyl)methyl]-2,5-dimethyl-3-pyrazolyl]-4-methylbenzenesulfonate IUPAC Name: 3-[4-[(2,4-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-yl]-4-methylbenzenesulfonate Traditional Name: 3-[4-(2,4-dichlorobenzyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-besylate Formula: C19H17Cl2N2O3S- MolecularWeight: 424.32088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=C(C(=NN2C)C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=C(C(=NN2C)C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O3S/c1-11-4-7-15(27(24,25)26)10-16(11)19-17(12(2)22-23(19)3)8-13-5-6-14(20)9-18(13)21/h4-7,9-10H,8H2,1-3H3,(H,24,25,26)/p-1