(5-methyl-2-phenyl-pyrazol-3-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-bromanylbenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C16H13BrN2O3S/c1-12-11-16(19(18-12)14-5-3-2-4-6-14)22-23(20,21)15-9-7-13(17)8-10-15/h2-11H,1H3