2-[(3E)-6-iodanyl-2-methylsulfanyl-3-(phenylmethylidene)-1H-isoindol-5-yl]phenol

Systemtic Name: 2-[(3E)-6-iodanyl-2-methylsulfanyl-3-(phenylmethylidene)-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-3-benzylidene-6-iodo-2-methylsulfanyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-6-iodo-2-(methylthio)-3-(phenylmethylene)-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-6-iodo-2-methylsulfanyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-6-iodo-2-(methylthio)isoindolin-5-yl]phenol Formula: C22H18INOS MolecularWeight: 471.35389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)I)C4=CC=CC=C4O

Isomeric SMILES

CSN\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)I)C4=CC=CC=C4O

InChI

InChI=1S/C22H18INOS/c1-26-24-14-16-12-20(23)19(17-9-5-6-10-22(17)25)13-18(16)21(24)11-15-7-3-2-4-8-15/h2-13,25H,14H2,1H3/b21-11+