2-methyl-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile

Systemtic Name: 2-methyl-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Openeye Name: 2-methyl-3-oxo-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propanenitrile CAS Name: 2-methyl-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile IUPAC Name: 2-methyl-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Traditional Name: 3-keto-2-methyl-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propionitrile Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CC(C#N)C(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C12H13NOS/c1-8(7-13)12(14)11-6-9-4-2-3-5-10(9)15-11/h6,8H,2-5H2,1H3