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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetonitrile Formula: C13H12BrN3OS MolecularWeight: 338.22288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC#N

InChI

InChI=1S/C13H12BrN3OS/c1-2-6-17-12(18)10-8-9(14)3-4-11(10)16-13(17)19-7-5-15/h3-4,8H,2,6-7H2,1H3