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

Systemtic Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonic acid Openeye Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-benzenesulfonic acid CAS Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-3-pyrazolyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethylpyrazol-3-yl]-4-methylbenzenesulfonic acid Traditional Name: 3-[4-(2,4-dichlorophenyl)-2,5-dimethyl-pyrazol-3-yl]-4-methyl-besylic acid Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

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)