2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)CC3=CN=CC=C3

InChI

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