2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C15H16BrN3OS MolecularWeight: 366.27604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC#N

InChI

InChI=1S/C15H16BrN3OS/c1-2-3-4-8-19-14(20)12-10-11(16)5-6-13(12)18-15(19)21-9-7-17/h5-6,10H,2-4,8-9H2,1H3