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3-(o-phenylcarbonylaminophenyl)-6-(4-bromophenyl)-1-methyl-7H-1,2,4-triazo[3,4-b]-1,3,4-thiadiazin-3-ium trifluoromethanesulphonate
SpectraBase Compound ID L286q0cmAE7
InChI InChI=1S/C24H18BrN5OS.CHF3O3S/c1-29-24-30(27-21(15-32-24)16-11-13-18(25)14-12-16)22(28-29)19-9-5-6-10-20(19)26-23(31)17-7-3-2-4-8-17;2-1(3,4)8(5,6)7/h2-15,27H,1H3;(H,5,6,7)
InChIKey ZBEXIGXGEIVWBH-UHFFFAOYSA-N
Mol Weight 654.48 g/mol
Molecular Formula C25H19BrF3N5O4S2
Exact Mass 653.001394 g/mol
Parent InChIKey CHJWUNFAYCGSDD-UHFFFAOYSA-N
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