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1-(4-bromophenyl)-2-methylthio-5-phenyl-1,3,4-triazo[3,2-c]quinazoline iodide
SpectraBase Compound ID 7tAt3l7103f
InChI InChI=1S/C22H16BrN4S.HI/c1-28-22-25-27-20(15-7-3-2-4-8-15)24-19-10-6-5-9-18(19)21(27)26(22)17-13-11-16(23)12-14-17;/h2-14H,1H3;1H/q+1;/p-1
InChIKey ICYWMMLWZODLAB-UHFFFAOYSA-M
Mol Weight 575.27 g/mol
Molecular Formula C22H16BrIN4S
Exact Mass 573.932376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DykuoClG3Tx
Name 1-(4-bromophenyl)-2-methylthio-5-phenyl-1,3,4-triazo[3,2-c]quinazoline iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrIN4S
InChI InChI=1S/C22H16BrN4S.HI/c1-28-22-25-27-20(15-7-3-2-4-8-15)24-19-10-6-5-9-18(19)21(27)26(22)17-13-11-16(23)12-14-17;/h2-14H,1H3;1H/q+1;/p-1
InChIKey ICYWMMLWZODLAB-UHFFFAOYSA-M
Molecular Weight 575.266 g/mol
SMILES [I-].c12[n+](nc([n]2-c2ccc(Br)cc2)SC)c(nc2ccccc12)-c1ccccc1
SPLASH splash10-0036-1930200000-2e040d08d81ce91d09df
Source of Spectrum SO-0-883-5
Synonyms 1-(4-bromophenyl)-2-(methylsulfanyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium iodide 1-(4-Bromophenyl)-5-phenyl-2-methylmercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium iodide
Wiley ID 1538242