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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CSC1=C(C=C\2C(=C1)CN(/C2=C\C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H25NO3S2/c1-34-28-18-24-21-30(20-23-13-7-3-8-14-23)27(17-22-11-5-2-6-12-22)26(24)19-29(28)35(31,32)33-25-15-9-4-10-16-25/h2-19H,20-21H2,1H3/b27-17-