N-[4-(cyanomethyl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C24H19N5O2S/c1-16-11-13-26-21(14-16)29-23(31)19-4-2-3-5-20(19)28-24(29)32-15-22(30)27-18-8-6-17(7-9-18)10-12-25/h2-9,11,13-14H,10,15H2,1H3,(H,27,30)