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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1C3=CC=CC=C3O)C(=CC4=CC=CC=C4)N(C2)CC5=CC=CC=C5

Isomeric SMILES

CSC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C/C4=CC=CC=C4)/N(C2)CC5=CC=CC=C5

InChI

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