2-[(3E)-5-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol

Systemtic Name: 2-[(3E)-5-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Openeye Name: 2-[(1E)-1-benzylidene-5-isopropylsulfonyl-6-methylsulfanyl-isoindolin-2-yl]phenol CAS Name: 2-[(3E)-5-(methylthio)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol IUPAC Name: 2-[(3E)-3-benzylidene-5-methylsulfanyl-6-propan-2-ylsulfonyl-1H-isoindol-2-yl]phenol Traditional Name: 2-[(1E)-1-benzal-5-isopropylsulfonyl-6-(methylthio)isoindolin-2-yl]phenol Formula: C25H25NO3S2 MolecularWeight: 451.6009

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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)C4=CC=CC=C4O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)C4=CC=CC=C4O)SC

InChI

InChI=1S/C25H25NO3S2/c1-17(2)31(28,29)25-14-19-16-26(21-11-7-8-12-23(21)27)22(20(19)15-24(25)30-3)13-18-9-5-4-6-10-18/h4-15,17,27H,16H2,1-3H3/b22-13+