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

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetonitrile Formula: C16H11N3OS MolecularWeight: 293.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C16H11N3OS/c17-10-11-21-16-18-14-9-5-4-8-13(14)15(20)19(16)12-6-2-1-3-7-12/h1-9H,11H2