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

Systemtic Name: 2-[(3E)-5-methylsulfanyl-6-(phenylmethyl)-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-5-benzyl-1-benzylidene-6-methylsulfanyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-5-(methylthio)-6-(phenylmethyl)-3-(phenylmethylene)-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-6-benzyl-3-benzylidene-5-methylsulfanyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-5-benzyl-6-(methylthio)isoindolin-2-yl]phenol Formula: C29H25NOS MolecularWeight: 435.5799

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2CN(C(=CC3=CC=CC=C3)C2=C1)C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C2CN(/C(=C/C3=CC=CC=C3)/C2=C1)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

InChI=1S/C29H25NOS/c1-32-29-19-25-24(18-23(29)16-21-10-4-2-5-11-21)20-30(26-14-8-9-15-28(26)31)27(25)17-22-12-6-3-7-13-22/h2-15,17-19,31H,16,20H2,1H3/b27-17+