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

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic 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-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C18H15BrCl2N2O3S MolecularWeight: 490.1983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H15BrCl2N2O3S/c1-11(2)17-10-18(23(22-17)13-5-8-15(20)16(21)9-13)26-27(24,25)14-6-3-12(19)4-7-14/h3-11H,1-2H3