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3-Methyl-2-[6-(4-bromophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazin-3-yl]thiazolo[3,2-a]benzimidazole
SpectraBase Compound ID 4BCgDuEL9Og
InChI InChI=1S/C20H13BrN6S2/c1-11-17(29-19-22-14-4-2-3-5-16(14)26(11)19)18-23-24-20-27(18)25-15(10-28-20)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
InChIKey RRFFXJFNWDLGHB-UHFFFAOYSA-N
Mol Weight 481.39 g/mol
Molecular Formula C20H13BrN6S2
Exact Mass 479.98265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nKSvHIGp57
Name 3-Methyl-2-[6-(4-bromophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazin-3-yl]thiazolo[3,2-a]benzimidazole
Alternate Name(s) 2-(6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-3-methylbenzo[4,5]imidazo[2,1-b]thiazole
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Formula C20H13BrN6S2
InChI InChI=1S/C20H13BrN6S2/c1-11-17(29-19-22-14-4-2-3-5-16(14)26(11)19)18-23-24-20-27(18)25-15(10-28-20)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
InChIKey RRFFXJFNWDLGHB-UHFFFAOYSA-N
Molecular Weight 481.390 g/mol
SMILES c12nc3c([n]2C(=C(S1)c1nnc2SCC(=N[n]12)c1ccc(cc1)Br)C)cccc3
SPLASH splash10-000i-3901100000-1a26b86b904b0120dd75
Source of Spectrum QA-54-1579-10b
Wiley ID 1796348