(3E)-5-methylsulfanyl-6-(phenylmethyl)-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole

Systemtic Name: (3E)-5-methylsulfanyl-6-(phenylmethyl)-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-5-benzyl-1-benzylidene-2-isopropylsulfonyl-6-methylsulfanyl-isoindoline CAS Name: (3E)-5-(methylthio)-6-(phenylmethyl)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-6-benzyl-3-benzylidene-5-methylsulfanyl-2-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-benzyl-2-isopropylsulfonyl-6-(methylthio)isoindoline Formula: C26H27NO2S2 MolecularWeight: 449.62808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)N\1CC2=CC(=C(C=C2/C1=C\C3=CC=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO2S2/c1-19(2)31(28,29)27-18-23-16-22(14-20-10-6-4-7-11-20)26(30-3)17-24(23)25(27)15-21-12-8-5-9-13-21/h4-13,15-17,19H,14,18H2,1-3H3/b25-15+