For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(4-Chlorophenyl)-2-methylthio-5-phenyl-1,3,4-triazo[2,3-c]quinazoline iodide
SpectraBase Compound ID 1mye5r8riDE
InChI InChI=1S/C22H16ClN4S.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 BZNIIRYGXAXYJC-UHFFFAOYSA-M
Mol Weight 530.82 g/mol
Molecular Formula C22H16ClIN4S
Exact Mass 529.98289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6FyczpSSWva
Name 1-(4-Chlorophenyl)-2-methylthio-5-phenyl-1,3,4-triazo[2,3-c]quinazoline iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16ClIN4S
InChI InChI=1S/C22H16ClN4S.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 BZNIIRYGXAXYJC-UHFFFAOYSA-M
Molecular Weight 530.815 g/mol
SMILES [I-].c12[n+](nc([n]2-c2ccc(Cl)cc2)SC)c(nc2ccccc12)-c1ccccc1
SPLASH splash10-002o-1934000000-6141afe39ff69da741ba
Source of Spectrum SO-0-883-5
Synonyms 1-(4-Chlorophenyl)-2-(methylsulfanyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium iodide 1-(4-Chlorophenyl)-5-phenyl-2-methylmercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium iodide
Wiley ID 1538241