phenyl (1E)-2-bromanyl-6-methylsulfanyl-1-(phenylmethylidene)-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1E)-2-bromanyl-6-methylsulfanyl-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-2-bromo-6-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (1E)-2-bromo-6-(methylthio)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1E)-1-benzylidene-2-bromo-6-methylsulfanyl-3H-isoindole-5-sulfonate Traditional Name: (1E)-1-benzal-2-bromo-6-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C22H18BrNO3S2 MolecularWeight: 488.41722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)Br)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)Br)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H18BrNO3S2/c1-28-21-14-19-17(15-24(23)20(19)12-16-8-4-2-5-9-16)13-22(21)29(25,26)27-18-10-6-3-7-11-18/h2-14H,15H2,1H3/b20-12+