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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)CC4=CC=CC=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO2S2/c1-19(2)31(28,29)26-15-22-18-27(17-21-12-8-5-9-13-21)24(23(22)16-25(26)30-3)14-20-10-6-4-7-11-20/h4-16,19H,17-18H2,1-3H3/b24-14+