2-(5,8-dimethylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(5,8-dimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(5,8-dimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(5,8-dimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(5,8-dimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(5,8-dimethyl-4-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=NC2=C(C=C1)C)SCC#N

Isomeric SMILES

CC1=C2C(=CC=NC2=C(C=C1)C)SCC#N

InChI

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