[2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C19H18Cl2N2O3S MolecularWeight: 425.32882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C(C)C

InChI

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