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

Systemtic Name: phenyl (3E)-6-bromanyl-5-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-2-sulfonate Openeye Name: phenyl (1E)-1-benzylidene-5-bromo-6-methylsulfanyl-isoindoline-2-sulfonate CAS Name: (3E)-6-bromo-5-(methylthio)-3-(phenylmethylene)-1H-isoindole-2-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-bromo-5-methylsulfanyl-1H-isoindole-2-sulfonate Traditional Name: (1E)-1-benzal-5-bromo-6-(methylthio)isoindoline-2-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)S(=O)(=O)OC4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3S2/c1-28-22-14-19-17(13-20(22)23)15-24(21(19)12-16-8-4-2-5-9-16)29(25,26)27-18-10-6-3-7-11-18/h2-14H,15H2,1H3/b21-12+