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

Systemtic Name: (3E)-2-iodanyl-5-methylsulfanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindole Openeye Name: (1E)-5-benzyl-1-benzylidene-2-iodo-6-methylsulfanyl-isoindoline CAS Name: (3E)-2-iodo-5-(methylthio)-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindole IUPAC Name: (3E)-6-benzyl-3-benzylidene-2-iodo-5-methylsulfanyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-benzyl-2-iodo-6-(methylthio)isoindoline Formula: C23H20INS MolecularWeight: 469.38107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)I)CC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)I)CC4=CC=CC=C4

InChI

InChI=1S/C23H20INS/c1-26-23-15-21-20(14-19(23)12-17-8-4-2-5-9-17)16-25(24)22(21)13-18-10-6-3-7-11-18/h2-11,13-15H,12,16H2,1H3/b22-13+