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

SpectraBase Compound ID	KUpqj5gzBWa
InChI	InChI=1S/C19H17N5O5S/c1-21-18-17(11-20-21)22(12-14-5-3-2-4-6-14)19(25)23(30(18,28)29)13-15-7-9-16(10-8-15)24(26)27/h2-11H,12-13H2,1H3
InChIKey	VIWLCSMZBTTZFD-UHFFFAOYSA-N Google Search
Mol Weight	427.44 g/mol
Molecular Formula	C19H17N5O5S
Exact Mass	427.09504 g/mol

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SpectraBase Spectrum ID	3n38653obeG
Name	2-(PARA-NITROBENZYL)-4-BENZYL-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number	3 K
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C19H17N5O5S
InChI	InChI=1S/C19H17N5O5S/c1-21-18-17(11-20-21)22(12-14-5-3-2-4-6-14)19(25)23(30(18,28)29)13-15-7-9-16(10-8-15)24(26)27/h2-11H,12-13H2,1H3
InChIKey	VIWLCSMZBTTZFD-UHFFFAOYSA-N
Literature Reference Author	P.ZHAN,R.YAN,X.LIU,C.PANNECOUQUE,M.WITVROUW,E.DECLERCQ,M.T.M OLINA,S.VEGA
Literature Reference Citation	DRUG.DISC.THER.,5,279(2011)
Molecular Weight	427.434 g/mol
Source File Reference	UWLU75331