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2-(1-(5-(4-nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-ethylthio)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine
SpectraBase Compound ID 1fCQs4aE9Bt
InChI InChI=1S/C18H17N7O3S2/c1-10-8-11(2)24-16(19-10)20-17(23-24)30-12(3)15-21-22-18(28-15)29-9-13-4-6-14(7-5-13)25(26)27/h4-8,12H,9H2,1-3H3
InChIKey QGSCKEOIZHVKFI-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C18H17N7O3S2
Exact Mass 443.08343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GjNoNYlYQ0
Name 2-(1-(5-(4-nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-ethylthio)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine
Alternate Name(s) 2-(1-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)ethyl)-5-((4-nitrobenzyl)thio)-1,3,4-oxadiazole 2-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]ethyl]-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole 2-[1-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
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Formula C18H17N7O3S2
InChI InChI=1S/C18H17N7O3S2/c1-10-8-11(2)24-16(19-10)20-17(23-24)30-12(3)15-21-22-18(28-15)29-9-13-4-6-14(7-5-13)25(26)27/h4-8,12H,9H2,1-3H3
InChIKey QGSCKEOIZHVKFI-UHFFFAOYSA-N
Molecular Weight 443.500 g/mol
SMILES c12nc(SC(c3oc(SCc4ccc(N(=O)=O)cc4)nn3)C)n[n]1C(C)=CC(=N2)C
SPLASH splash10-005i-9610000000-2a10c9a458ab981ed38f
Source of Spectrum EMC-43-602-9h
Wiley ID 1735221