2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(7-methoxy-4-methyl-2-quinolinyl)thio]acetonitrile IUPAC Name: 2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(7-methoxy-4-methyl-2-quinolyl)thio]acetonitrile Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC#N

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC#N

InChI

InChI=1S/C13H12N2OS/c1-9-7-13(17-6-5-14)15-12-8-10(16-2)3-4-11(9)12/h3-4,7-8H,6H2,1-2H3