phenyl (1Z)-2-methylsulfanyl-6-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate

Systemtic Name: phenyl (1Z)-2-methylsulfanyl-6-(phenylmethyl)-1-(phenylmethylidene)-3H-isoindole-5-sulfonate Openeye Name: phenyl (1Z)-6-benzyl-1-benzylidene-2-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (1Z)-2-(methylthio)-6-(phenylmethyl)-1-(phenylmethylene)-3H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (1Z)-6-benzyl-1-benzylidene-2-methylsulfanyl-3H-isoindole-5-sulfonate Traditional Name: (1Z)-1-benzal-6-benzyl-2-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C29H25NO3S2 MolecularWeight: 499.6437

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSN\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO3S2/c1-34-30-21-25-20-29(35(31,32)33-26-15-9-4-10-16-26)24(17-22-11-5-2-6-12-22)19-27(25)28(30)18-23-13-7-3-8-14-23/h2-16,18-20H,17,21H2,1H3/b28-18-