2-(2,6-dimethylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(2,6-dimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(2,6-dimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(2,6-dimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(2,6-dimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(2,6-dimethyl-4-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2SCC#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2SCC#N)C

InChI

InChI=1S/C13H12N2S/c1-9-3-4-12-11(7-9)13(16-6-5-14)8-10(2)15-12/h3-4,7-8H,6H2,1-2H3