2-(2,6,8-trimethylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(2,6,8-trimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(2,6,8-trimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(2,6,8-trimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(2,6,8-trimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(2,6,8-trimethyl-4-quinolyl)thio]acetonitrile Formula: C14H14N2S MolecularWeight: 242.33936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C)SCC#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C)SCC#N)C

InChI

InChI=1S/C14H14N2S/c1-9-6-10(2)14-12(7-9)13(17-5-4-15)8-11(3)16-14/h6-8H,5H2,1-3H3