2-(6-propan-2-ylquinolin-4-yl)sulfanylethanenitrile

Systemtic Name: 2-(6-propan-2-ylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(6-isopropyl-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(6-propan-2-yl-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(6-propan-2-ylquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(6-isopropyl-4-quinolyl)thio]acetonitrile Formula: C14H14N2S MolecularWeight: 242.33936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2S/c1-10(2)11-3-4-13-12(9-11)14(5-7-16-13)17-8-6-15/h3-5,7,9-10H,8H2,1-2H3