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2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-methoxybenzylthio)-1,3,4-thiadiazole
SpectraBase Compound ID 3MdhiIFFtPw
InChI InChI=1S/C18H18N6OS3/c1-11-7-12(2)24-16(19-11)20-17(23-24)26-10-15-21-22-18(28-15)27-9-13-5-4-6-14(8-13)25-3/h4-8H,9-10H2,1-3H3
InChIKey UGEUNXISLGGFQR-UHFFFAOYSA-N
Mol Weight 430.56 g/mol
Molecular Formula C18H18N6OS3
Exact Mass 430.070423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kp1Lkz55Ylm
Name 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-methoxybenzylthio)-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-methoxybenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(3-methoxyphenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
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Formula C18H18N6OS3
InChI InChI=1S/C18H18N6OS3/c1-11-7-12(2)24-16(19-11)20-17(23-24)26-10-15-21-22-18(28-15)27-9-13-5-4-6-14(8-13)25-3/h4-8H,9-10H2,1-3H3
InChIKey UGEUNXISLGGFQR-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2013.04.014
Molecular Weight 430.563 g/mol
SMILES C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1cc(ccc1)OC
SPLASH splash10-00e9-2900000000-2d88af1ea5445f6c6e6f
Source of Spectrum EMC-64-59-23
Wiley ID 1755179