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

Systemtic Name: 2-[(3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindol-5-yl]phenol Openeye Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-methylsulfanyl-isoindolin-5-yl]phenol CAS Name: 2-[(3E)-2-(benzenesulfonyl)-6-(methylthio)-3-(phenylmethylene)-1H-isoindol-5-yl]phenol IUPAC Name: 2-[(3E)-2-(benzenesulfonyl)-3-benzylidene-6-methylsulfanyl-1H-isoindol-5-yl]phenol Traditional Name: 2-[(3E)-3-benzal-2-besyl-6-(methylthio)isoindolin-5-yl]phenol Formula: C28H23NO3S2 MolecularWeight: 485.61712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSC1=CC2=C(C=C1C3=CC=CC=C3O)/C(=C\C4=CC=CC=C4)/N(C2)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H23NO3S2/c1-33-28-17-21-19-29(34(31,32)22-12-6-3-7-13-22)26(16-20-10-4-2-5-11-20)24(21)18-25(28)23-14-8-9-15-27(23)30/h2-18,30H,19H2,1H3/b26-16+