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

Systemtic Name: 2-(4-oxidanylidene-3-phenylazanyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-anilino-4-oxo-quinazolin-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-anilino-4-oxo-2-quinazolinyl)thio]acetonitrile IUPAC Name: 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-anilino-4-keto-quinazolin-2-yl)thio]acetonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)NN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C16H12N4OS/c17-10-11-22-16-18-14-9-5-4-8-13(14)15(21)20(16)19-12-6-2-1-3-7-12/h1-9,19H,11H2