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

Systemtic Name: 2-[(3E)-5,6-bis(methylsulfanyl)-3-(phenylmethylidene)-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-1-benzylidene-5,6-bis(methylsulfanyl)isoindolin-2-yl]phenol CAS Name: 2-[(3E)-5,6-bis(methylthio)-3-(phenylmethylene)-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-5,6-bis(methylsulfanyl)-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-5,6-bis(methylthio)isoindolin-2-yl]phenol Formula: C23H21NOS2 MolecularWeight: 391.54894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)C4=CC=CC=C4O)SC

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)SC

InChI

InChI=1S/C23H21NOS2/c1-26-22-13-17-15-24(19-10-6-7-11-21(19)25)20(18(17)14-23(22)27-2)12-16-8-4-3-5-9-16/h3-14,25H,15H2,1-2H3/b20-12+