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2-(2,6-Difluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
SpectraBase Compound ID GgX4k4MI5un
InChI InChI=1S/C17H14F2N6S3/c1-9-6-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-12(18)4-3-5-13(11)19/h3-6H,7-8H2,1-2H3
InChIKey JQABKHYMOWFNPR-UHFFFAOYSA-N
Mol Weight 436.52 g/mol
Molecular Formula C17H14F2N6S3
Exact Mass 436.041014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqxdyFuaqf5
Name 2-(2,6-Difluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
Alternate Name(s) 2-((2,6-difluorobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(2,6-difluorophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(2,6-difluorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
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Formula C17H14F2N6S3
InChI InChI=1S/C17H14F2N6S3/c1-9-6-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-12(18)4-3-5-13(11)19/h3-6H,7-8H2,1-2H3
InChIKey JQABKHYMOWFNPR-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2013.04.014
Molecular Weight 436.518 g/mol
SMILES C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cccc1F)F
SPLASH splash10-056r-2910000000-ef1df16a42fb44100a12
Source of Spectrum EMC-64-60-29
Wiley ID 1755184