5-oxidanylidene-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-oxidanylidene-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-oxo-2-(2-thienyl)pentanenitrile CAS Name: 5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-oxo-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-keto-2-(2-thienyl)valeronitrile Formula: C12H15NOS MolecularWeight: 221.3186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NOS/c1-10(2)12(9-13,6-4-7-14)11-5-3-8-15-11/h3,5,7-8,10H,4,6H2,1-2H3