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

Systemtic Name: 4-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]butyronitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C18H16N4OS/c1-13-8-9-16(20-12-13)22-17(23)14-6-2-3-7-15(14)21-18(22)24-11-5-4-10-19/h2-3,6-9,12H,4-5,11H2,1H3