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

Systemtic Name: 2-(2,7,8-trimethylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(2,7,8-trimethyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(2,7,8-trimethyl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(2,7,8-trimethylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(2,7,8-trimethyl-4-quinolyl)thio]acetonitrile Formula: C14H14N2S MolecularWeight: 242.33936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C)SCC#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C)SCC#N)C

InChI

InChI=1S/C14H14N2S/c1-9-4-5-12-13(17-7-6-15)8-10(2)16-14(12)11(9)3/h4-5,8H,7H2,1-3H3