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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C25H19ClN4O2S/c1-16-6-8-17(9-7-16)14-30-24(32)20-4-2-3-5-21(20)29-25(30)33-15-23(31)28-22-12-19(26)11-10-18(22)13-27/h2-12H,14-15H2,1H3,(H,28,31)