(3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindol-5-ol

Systemtic Name: (3E)-6-methylsulfanyl-3-(phenylmethylidene)-2-propan-2-ylsulfonyl-1H-isoindol-5-ol Openeye Name: (3E)-3-benzylidene-2-isopropylsulfonyl-6-methylsulfanyl-isoindolin-5-ol CAS Name: (3E)-6-(methylthio)-3-(phenylmethylene)-2-propan-2-ylsulfonyl-1H-isoindol-5-ol IUPAC Name: (3E)-3-benzylidene-6-methylsulfanyl-2-propan-2-ylsulfonyl-1H-isoindol-5-ol Traditional Name: (3E)-3-benzal-2-isopropylsulfonyl-6-(methylthio)isoindolin-5-ol Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S2/c1-13(2)25(22,23)20-12-15-10-19(24-3)18(21)11-16(15)17(20)9-14-7-5-4-6-8-14/h4-11,13,21H,12H2,1-3H3/b17-9+