2-(7,8-dimethylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(7,8-dimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(7,8-dimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(7,8-dimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(7,8-dimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(7,8-dimethyl-4-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC=CC(=C2C=C1)SCC#N)C

Isomeric SMILES

CC1=C(C2=NC=CC(=C2C=C1)SCC#N)C

InChI

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