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

Systemtic Name: (3E)-2-bromanyl-5-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-1-benzylidene-2-bromo-5-isopropylsulfonyl-6-methylsulfanyl-isoindoline CAS Name: (3E)-2-bromo-5-(methylthio)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-3-benzylidene-2-bromo-5-methylsulfanyl-6-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-2-bromo-5-isopropylsulfonyl-6-(methylthio)isoindoline Formula: C19H20BrNO2S2 MolecularWeight: 438.4016

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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)Br)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO2S2/c1-13(2)25(22,23)19-10-15-12-21(20)17(16(15)11-18(19)24-3)9-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3/b17-9+