2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)butanenitrile

Systemtic Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)butanenitrile Openeye Name: 2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)butanenitrile CAS Name: 2-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]butanenitrile IUPAC Name: 2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)butanenitrile Traditional Name: 2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)butyronitrile Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NOS/c1-2-9(8-14)13(15)12-7-10-5-3-4-6-11(10)16-12/h7,9H,2-6H2,1H3