N-(5-bromanylpyridin-2-yl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN4O2S/c1-14-6-5-9-19(15(14)2)28-22(30)17-7-3-4-8-18(17)26-23(28)31-13-21(29)27-20-11-10-16(24)12-25-20/h3-12H,13H2,1-2H3,(H,25,27,29)