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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]acetonitrile Formula: C16H10BrN3OS MolecularWeight: 372.2391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC#N

InChI

InChI=1S/C16H10BrN3OS/c17-11-6-7-14-13(10-11)15(21)20(12-4-2-1-3-5-12)16(19-14)22-9-8-18/h1-7,10H,9H2