(3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindol-5-ol

Systemtic Name: (3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindol-5-ol Openeye Name: (3E)-2-(benzenesulfonyl)-3-benzylidene-6-methylsulfanyl-isoindolin-5-ol CAS Name: (3E)-2-(benzenesulfonyl)-6-(methylthio)-3-(phenylmethylene)-1H-isoindol-5-ol IUPAC Name: (3E)-2-(benzenesulfonyl)-3-benzylidene-6-methylsulfanyl-1H-isoindol-5-ol Traditional Name: (3E)-3-benzal-2-besyl-6-(methylthio)isoindolin-5-ol Formula: C22H19NO3S2 MolecularWeight: 409.52116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H19NO3S2/c1-27-22-13-17-15-23(28(25,26)18-10-6-3-7-11-18)20(19(17)14-21(22)24)12-16-8-4-2-5-9-16/h2-14,24H,15H2,1H3/b20-12+