2-BENZYL-4-(ORTHO-BROMOBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE

SpectraBase Compound ID	5Pa8KLN8kgs
InChI	InChI=1S/C19H17BrN4O3S/c1-22-18-17(11-21-22)23(13-15-9-5-6-10-16(15)20)19(25)24(28(18,26)27)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey	QCIUHVUQFYXCEB-UHFFFAOYSA-N Google Search
Mol Weight	461.33 g/mol
Molecular Formula	C19H17BrN4O3S
Exact Mass	460.020475 g/mol

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SpectraBase Spectrum ID	HpzMChN7jwQ
Name	2-BENZYL-4-(ORTHO-BROMOBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number	8A
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C19H17BrN4O3S
InChI	InChI=1S/C19H17BrN4O3S/c1-22-18-17(11-21-22)23(13-15-9-5-6-10-16(15)20)19(25)24(28(18,26)27)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey	QCIUHVUQFYXCEB-UHFFFAOYSA-N
Literature Reference Author	X.LIU,R.YAN,N.CHEN,W.XU,M.T.MOLINA,S.VEGA
Literature Reference Citation	MOLECULES,11,827(2006)
Literature Reference DOI	10.3390/11110827
Molecular Weight	461.333 g/mol
Sample ID	38656
Solvent	CDCl3