2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C16H12N4OS/c1-11-6-7-14(18-10-11)20-15(21)12-4-2-3-5-13(12)19-16(20)22-9-8-17/h2-7,10H,9H2,1H3