2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-(3-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-3-(3-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-3-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C23H18BrN3O3S/c1-14-6-5-11-25-21(14)27-22(29)16-7-3-4-8-18(16)26-23(27)31-13-19(28)15-9-10-20(30-2)17(24)12-15/h3-12H,13H2,1-2H3