N-(5-chloranyl-2-cyano-phenyl)-2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C24H17ClN4O3S MolecularWeight: 476.93478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C24H17ClN4O3S/c1-32-21-9-5-4-8-20(21)29-23(31)17-6-2-3-7-18(17)28-24(29)33-14-22(30)27-19-12-16(25)11-10-15(19)13-26/h2-12H,14H2,1H3,(H,27,30)