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2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
SpectraBase Compound ID I8gbB47T90m
InChI InChI=1S/C17H15FN6S3/c1-10-6-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-4-3-5-13(18)7-12/h3-7H,8-9H2,1-2H3
InChIKey NBMFOHWBDUQBJG-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 4BiCl63tnqo
Name 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
Alternate Name(s) 2-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((3-fluorobenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(3-fluorophenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazole
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Formula C17H15FN6S3
InChI InChI=1S/C17H15FN6S3/c1-10-6-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-4-3-5-13(18)7-12/h3-7H,8-9H2,1-2H3
InChIKey NBMFOHWBDUQBJG-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)SCc1cc(ccc1)F
SPLASH splash10-0a4i-1900000000-9601315c3464edbd38f5
Source of Spectrum EMC-64-59-20
Wiley ID 1755176