2-(6-ethylquinolin-4-yl)sulfanylethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CN=C2C=C1)SCC#N

Isomeric SMILES

CCC1=CC2=C(C=CN=C2C=C1)SCC#N

InChI

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