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

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]propanenitrile IUPAC Name: 3-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]propionitrile Formula: C17H12BrN3OS MolecularWeight: 386.26568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCCC#N

InChI

InChI=1S/C17H12BrN3OS/c18-12-7-8-15-14(11-12)16(22)21(13-5-2-1-3-6-13)17(20-15)23-10-4-9-19/h1-3,5-8,11H,4,10H2