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

Systemtic Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate Openeye Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonate CAS Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-3-pyrazolyl]-4-methylbenzenesulfonate IUPAC Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethylpyrazol-3-yl]-4-methylbenzenesulfonate Traditional Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-besylate Formula: C18H15Cl2N2O3S- MolecularWeight: 410.2943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O3S/c1-10-4-6-13(26(23,24)25)9-15(10)18-17(11(2)21-22(18)3)14-7-5-12(19)8-16(14)20/h4-9H,1-3H3,(H,23,24,25)/p-1