2-(3,7-dimethylquinolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(3,7-dimethylquinolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(3,7-dimethyl-2-quinolinyl)thio]acetonitrile IUPAC Name: 2-(3,7-dimethylquinolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3,7-dimethyl-2-quinolyl)thio]acetonitrile Formula: C13H12N2S MolecularWeight: 228.31278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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