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6-(4-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 3xShYrAppah
InChI InChI=1S/C19H13BrClN7S/c1-11-17(22-26-27(11)15-8-6-14(21)7-9-15)18-23-24-19-28(18)25-16(10-29-19)12-2-4-13(20)5-3-12/h2-9H,10H2,1H3
InChIKey MPUXLKNNNGHLLR-UHFFFAOYSA-N
Mol Weight 486.78 g/mol
Molecular Formula C19H13BrClN7S
Exact Mass 484.982505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imz51tVIo34
Name 6-(4-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Formula C19H13BrClN7S
InChI InChI=1S/C19H13BrClN7S/c1-11-17(22-26-27(11)15-8-6-14(21)7-9-15)18-23-24-19-28(18)25-16(10-29-19)12-2-4-13(20)5-3-12/h2-9H,10H2,1H3
InChIKey MPUXLKNNNGHLLR-UHFFFAOYSA-N
Molecular Weight 486.779 g/mol
SMILES c1cc(ccc1-[n]1c(c(-c2nnc3[n]2N=C(CS3)c2ccc(cc2)Br)nn1)C)Cl
SPLASH splash10-056r-0490500000-189cd7e451ccfb21e858
Source of Spectrum Y1-39B-781-5b
Wiley ID 1743974