3-Amino-2-methylthio-4-oxo-6,8-diphenyl-3,4-dihydropyrido[2,1-f][1,2,4]triazin-9-ium trifluoromethanesulfonate

SpectraBase Compound ID	4NXhVtj1xbe
InChI	InChI=1S/C20H16N4OS.CHF3O3S/c1-26-20-22-24-17(15-10-6-3-7-11-15)12-16(14-8-4-2-5-9-14)13-18(24)19(25)23(20)21;2-1(3,4)8(5,6)7/h2-13,21H,1H3;(H,5,6,7)
InChIKey	WQNUVRQWXUISAF-UHFFFAOYSA-N Google Search
Mol Weight	510.51 g/mol
Molecular Formula	C21H17F3N4O4S2
Exact Mass	510.064332 g/mol

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SpectraBase Spectrum ID	3TKETbG9fjv
Name	3-Amino-2-methylthio-4-oxo-6,8-diphenyl-3,4-dihydropyrido[2,1-f][1,2,4]triazin-9-ium trifluoromethanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H17F3N4O4S2
InChI	InChI=1S/C20H16N4OS.CHF3O3S/c1-26-20-22-24-17(15-10-6-3-7-11-15)12-16(14-8-4-2-5-9-14)13-18(24)19(25)23(20)21;2-1(3,4)8(5,6)7/h2-13,21H,1H3;(H,5,6,7)
InChIKey	WQNUVRQWXUISAF-UHFFFAOYSA-N
Molecular Weight	510.506 g/mol
SMILES	C(S(=O)(=O)[O-])(F)(F)F.NN1C(=N[n+]2c(C1=O)cc(cc2-c1ccccc1)-c1ccccc1)SC
SPLASH	splash10-0gwb-0092000000-5dd545b445335db34c4c
Source of Spectrum	SO-0-700-3
Synonyms	3-Amino-2-(methylsulfanyl)-4-oxo-6,8-diphenyl-3H,4H-pyrido[2,1-f][1,2,4]triazin-9-ium trifluoromethanesulfonate
Wiley ID	1538290