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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C23H16ClN5O2S MolecularWeight: 461.92344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN5O2S/c1-14-8-9-26-20(10-14)29-22(31)17-4-2-3-5-19(17)28-23(29)32-13-21(30)27-16-7-6-15(12-25)18(24)11-16/h2-11H,13H2,1H3,(H,27,30)