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

*Links on SpectraBase are not permalinks.

2-(2-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-(2-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
SpectraBase Compound ID 1LfoTtyBvT9
InChI InChI=1S/C17H15ClN6S3/c1-10-7-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-5-3-4-6-13(12)18/h3-7H,8-9H2,1-2H3
InChIKey XEBBBFYGXJGWGS-UHFFFAOYSA-N
Mol Weight 434.98 g/mol
Molecular Formula C17H15ClN6S3
Exact Mass 434.020886 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 HFIQPl7lVBG
Name 2-(2-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN6S3
InChI InChI=1S/C17H15ClN6S3/c1-10-7-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-5-3-4-6-13(12)18/h3-7H,8-9H2,1-2H3
InChIKey XEBBBFYGXJGWGS-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2013.04.014
Molecular Weight 434.982 g/mol
SMILES C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cccc1)Cl
SPLASH splash10-056r-0900000000-6f9e164de1ab5451f7ad
Source of Spectrum EMC-64-58-14
Synonyms 2-((2-chlorobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(2-chlorophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(2-chlorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
Wiley ID 1755170