(3Z)-2-methylsulfanyl-3-(phenylmethylidene)-5,6-bis(propan-2-ylsulfonyl)-1H-isoindole

Systemtic Name: (3Z)-2-methylsulfanyl-3-(phenylmethylidene)-5,6-bis(propan-2-ylsulfonyl)-1H-isoindole Openeye Name: (1Z)-1-benzylidene-5,6-bis(isopropylsulfonyl)-2-methylsulfanyl-isoindoline CAS Name: (3Z)-2-(methylthio)-3-(phenylmethylene)-5,6-bis(propan-2-ylsulfonyl)-1H-isoindole IUPAC Name: (3Z)-3-benzylidene-2-methylsulfanyl-5,6-bis(propan-2-ylsulfonyl)-1H-isoindole Traditional Name: (1Z)-1-benzal-5,6-bis(isopropylsulfonyl)-2-(methylthio)isoindoline Formula: C22H27NO4S3 MolecularWeight: 465.64908

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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)SC)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S3/c1-15(2)29(24,25)21-12-18-14-23(28-5)20(11-17-9-7-6-8-10-17)19(18)13-22(21)30(26,27)16(3)4/h6-13,15-16H,14H2,1-5H3/b20-11-