[2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-propylpyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] ester Formula: C18H16BrClN2O3S MolecularWeight: 455.75324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16BrClN2O3S/c1-2-3-15-12-18(22(21-15)16-8-6-14(20)7-9-16)25-26(23,24)17-10-4-13(19)5-11-17/h4-12H,2-3H2,1H3