N-(4-bromanyl-3-methyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-keto-3-(3-pyridylmethyl)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)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)Br

InChI

InChI=1S/C23H19BrN4O2S/c1-15-11-17(8-9-19(15)24)26-21(29)14-31-23-27-20-7-3-2-6-18(20)22(30)28(23)13-16-5-4-10-25-12-16/h2-12H,13-14H2,1H3,(H,26,29)