4,4-dimethyl-3-oxidanylidene-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-2-thiophen-2-yl-pentanenitrile Openeye Name: 4,4-dimethyl-3-oxo-2-(2-thienyl)pentanenitrile CAS Name: 4,4-dimethyl-3-oxo-2-thiophen-2-ylpentanenitrile IUPAC Name: 4,4-dimethyl-3-oxo-2-thiophen-2-ylpentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-(2-thienyl)valeronitrile Formula: C11H13NOS MolecularWeight: 207.29202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=CC=CS1

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=CC=CS1

InChI

InChI=1S/C11H13NOS/c1-11(2,3)10(13)8(7-12)9-5-4-6-14-9/h4-6,8H,1-3H3