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

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2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(4-fluorobenzylthio)-1,3,4-thiadiazole
SpectraBase Compound ID 4cIVBKuZ887
InChI InChI=1S/C17H15FN6S3/c1-10-7-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3
InChIKey XOJOEDFMVXTMLA-UHFFFAOYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C17H15FN6S3
Exact Mass 418.050436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfAKUFxqUC9
Name 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(4-fluorobenzylthio)-1,3,4-thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15FN6S3
InChI InChI=1S/C17H15FN6S3/c1-10-7-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3
InChIKey XOJOEDFMVXTMLA-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2013.04.014
Molecular Weight 418.527 g/mol
SMILES C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1ccc(cc1)F
SPLASH splash10-0a4i-1900000000-3f1bb7818bcfdca5f26f
Source of Spectrum EMC-64-59-21
Synonyms 2-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((4-fluorobenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
Wiley ID 1755177