6,6-dimethyl-4-oxidanylidene-3-[2-(phenylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-[2-(phenylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3-[2-(benzenesulfonyl)ethylthio]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3-[2-(benzenesulfonyl)ethylsulfanyl]-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-(2-besylethylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C19H19NO3S3 MolecularWeight: 405.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCS(=O)(=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCS(=O)(=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C19H19NO3S3/c1-19(2)10-14-16(12-20)25-18(17(14)15(21)11-19)24-8-9-26(22,23)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3