(3E)-5,6-bis(methylsulfanyl)-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole

Systemtic Name: (3E)-5,6-bis(methylsulfanyl)-3-(phenylmethylidene)-2-(phenylsulfonyl)-1H-isoindole Openeye Name: (1E)-2-(benzenesulfonyl)-1-benzylidene-5,6-bis(methylsulfanyl)isoindoline CAS Name: (3E)-2-(benzenesulfonyl)-5,6-bis(methylthio)-3-(phenylmethylene)-1H-isoindole IUPAC Name: (3E)-2-(benzenesulfonyl)-3-benzylidene-5,6-bis(methylsulfanyl)-1H-isoindole Traditional Name: (1E)-1-benzal-2-besyl-5,6-bis(methylthio)isoindoline Formula: C23H21NO2S3 MolecularWeight: 439.61334

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO2S3/c1-27-22-14-18-16-24(29(25,26)19-11-7-4-8-12-19)21(20(18)15-23(22)28-2)13-17-9-5-3-6-10-17/h3-15H,16H2,1-2H3/b21-13+