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

Systemtic Name: phenyl (3E)-6-iodanyl-2-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3E)-3-benzylidene-6-iodo-2-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (3E)-6-iodo-2-(methylthio)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3E)-3-benzylidene-6-iodo-2-methylsulfanyl-1H-isoindole-5-sulfonate Traditional Name: (3E)-3-benzal-6-iodo-2-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C22H18INO3S2 MolecularWeight: 535.41769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)I

Isomeric SMILES

CSN\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)I

InChI

InChI=1S/C22H18INO3S2/c1-28-24-15-17-13-20(23)22(29(25,26)27-18-10-6-3-7-11-18)14-19(17)21(24)12-16-8-4-2-5-9-16/h2-14H,15H2,1H3/b21-12+