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

Systemtic Name: 2-(6-bromanylquinolin-4-yl)sulfanylethanenitrile Openeye Name: 2-[(6-bromo-4-quinolyl)sulfanyl]acetonitrile CAS Name: 2-[(6-bromo-4-quinolinyl)thio]acetonitrile IUPAC Name: 2-(6-bromoquinolin-4-yl)sulfanylacetonitrile Traditional Name: 2-[(6-bromo-4-quinolyl)thio]acetonitrile Formula: C11H7BrN2S MolecularWeight: 279.15568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CC(=C2C=C1Br)SCC#N

Isomeric SMILES

C1=CC2=NC=CC(=C2C=C1Br)SCC#N

InChI

InChI=1S/C11H7BrN2S/c12-8-1-2-10-9(7-8)11(3-5-14-10)15-6-4-13/h1-3,5,7H,6H2