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

Systemtic Name: 2-[(3E)-5-methoxy-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-1-benzylidene-6-methoxy-5-methylsulfanyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-5-methoxy-6-(methylthio)-3-(phenylmethylene)-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-5-methoxy-6-methylsulfanyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-6-methoxy-5-(methylthio)isoindolin-2-yl]phenol Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)C4=CC=CC=C4O)SC

Isomeric SMILES

COC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)SC

InChI

InChI=1S/C23H21NO2S/c1-26-22-14-18-17(13-23(22)27-2)15-24(19-10-6-7-11-21(19)25)20(18)12-16-8-4-3-5-9-16/h3-14,25H,15H2,1-2H3/b20-12+