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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=C(C1=CC3=CC=CC=C3)C=C(C(=C2)CC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

CSN\1CC2=C(/C1=C\C3=CC=CC=C3)C=C(C(=C2)CC4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C29H25NOS/c1-32-30-20-24-18-23(16-21-10-4-2-5-11-21)26(25-14-8-9-15-29(25)31)19-27(24)28(30)17-22-12-6-3-7-13-22/h2-15,17-19,31H,16,20H2,1H3/b28-17+