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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)C=C1C5=CC=CC=C5O

Isomeric SMILES

CSC1=CC\2=C(CN(/C2=C/C3=CC=CC=C3)CC4=CC=CC=C4)C=C1C5=CC=CC=C5O

InChI

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