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3-(4-Bromophenyl)-2-([1,2,4]triazolo[1,5-c]quinazoline-2-ylthio)propionic Acid Ethyl Ester
SpectraBase Compound ID 2eY9PHXYPGa
InChI InChI=1S/C20H17BrN4O2S/c1-2-27-19(26)17(11-13-7-9-14(21)10-8-13)28-20-23-18-15-5-3-4-6-16(15)22-12-25(18)24-20/h3-10,12,17H,2,11H2,1H3
InChIKey CTDOCQBQJJDXIM-UHFFFAOYSA-N
Mol Weight 457.35 g/mol
Molecular Formula C20H17BrN4O2S
Exact Mass 456.02556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 730Olx3x9TJ
Name 3-(4-Bromophenyl)-2-([1,2,4]triazolo[1,5-c]quinazoline-2-ylthio)propionic Acid Ethyl Ester
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Formula C20H17BrN4O2S
InChI InChI=1S/C20H17BrN4O2S/c1-2-27-19(26)17(11-13-7-9-14(21)10-8-13)28-20-23-18-15-5-3-4-6-16(15)22-12-25(18)24-20/h3-10,12,17H,2,11H2,1H3
InChIKey CTDOCQBQJJDXIM-UHFFFAOYSA-N
Molecular Weight 457.346 g/mol
SMILES c-12[n](nc(n2)SC(C(=O)OCC)Cc2ccc(cc2)Br)C=Nc2c1cccc2
SPLASH splash10-0udi-0390000000-29211ca8304c8edd9752
Source of Spectrum E1-57-582-3l
Synonyms 3-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylthio)propanoic acid ethyl ester Ethyl 3-(4-bromophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propanoate
Wiley ID 1661790