N-(5-chloranylpyridin-2-yl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O2S/c1-14-6-2-5-9-18(14)27-21(29)16-7-3-4-8-17(16)25-22(27)30-13-20(28)26-19-11-10-15(23)12-24-19/h2-12H,13H2,1H3,(H,24,26,28)