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

Systemtic Name: 2-(6,8-dimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(6,8-dimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(6,8-dimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(6,8-dimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(6,8-dimethyl-4-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CN=C2C(=C1)C)SCC#N

Isomeric SMILES

CC1=CC2=C(C=CN=C2C(=C1)C)SCC#N

InChI

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