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2-(3-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
SpectraBase Compound ID 2CoRfQPmsCT
InChI InChI=1S/C17H15ClN6S3/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 CEOIMHURNNYXGE-UHFFFAOYSA-N
Mol Weight 434.98 g/mol
Molecular Formula C17H15ClN6S3
Exact Mass 434.020886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 994HQY74TMX
Name 2-(3-Chlorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole
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Formula C17H15ClN6S3
InChI InChI=1S/C17H15ClN6S3/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 CEOIMHURNNYXGE-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)SCc1cc(ccc1)Cl
SPLASH splash10-056r-0900000000-6f9e164de1ab5451f7ad
Source of Spectrum EMC-64-58-15
Synonyms 2-((3-chlorobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(3-chlorophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(3-chlorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole
Wiley ID 1755171