2-(2,8-dimethylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(2,8-dimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(2,8-dimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(2,8-dimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(2,8-dimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(2,8-dimethyl-4-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2SCC#N)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2SCC#N)C

InChI

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