7,7-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,6-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 7,7-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,6-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 7,7-dimethyl-3-methylsulfanyl-4-oxo-5,6-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 7,7-dimethyl-3-(methylthio)-4-oxo-5,6-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 7,7-dimethyl-3-methylsulfanyl-4-oxo-5,6-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-7,7-dimethyl-3-(methylthio)-5,6-dihydroisobenzothiophene-1-carbonitrile Formula: C12H13NOS2 MolecularWeight: 251.36772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C(SC(=C21)C#N)SC)C

Isomeric SMILES

CC1(CCC(=O)C2=C(SC(=C21)C#N)SC)C

InChI

InChI=1S/C12H13NOS2/c1-12(2)5-4-7(14)9-10(12)8(6-13)16-11(9)15-3/h4-5H2,1-3H3