2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(3-fluorobenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide

SpectraBase Compound ID	DZCVxYf4hHK
InChI	InChI=1S/C20H17FN10O3/c21-12-5-3-4-11(8-12)9-25-27-20(33)16-15(31(30-26-16)19-17(22)28-34-29-19)10-24-14-7-2-1-6-13(14)18(23)32/h1-9,24H,10H2,(H2,22,28)(H2,23,32)(H,27,33)/b25-9+
InChIKey	MTCQYQVINLUAEB-YCPBAFNGSA-N Google Search
Mol Weight	464.42 g/mol
Molecular Formula	C20H17FN10O3
Exact Mass	464.146913 g/mol

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SpectraBase Spectrum ID	5J1yPD4pWVK
Name	2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(3-fluorobenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C20H17FN10O3/c21-12-5-3-4-11(8-12)9-25-27-20(33)16-15(31(30-26-16)19-17(22)28-34-29-19)10-24-14-7-2-1-6-13(14)18(23)32/h1-9,24H,10H2,(H2,22,28)(H2,23,32)(H,27,33)/b25-9+
InChIKey	MTCQYQVINLUAEB-YCPBAFNGSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13123
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D79995; Labnumber: NIG2-0478; SBI_ID: SBI-013126
Synonyms	2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[2-(3-fluorobenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Temperature	315 °C