1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	6FJqWNXpTFo
InChI	InChI=1S/C21H14F3N9O3S/c22-21(23,24)12-6-2-1-5-11(12)9-26-29-19(34)16-14(33(32-28-16)18-17(25)30-36-31-18)10-37-20-27-13-7-3-4-8-15(13)35-20/h1-9H,10H2,(H2,25,30)(H,29,34)/b26-9+
InChIKey	SJRREYOHTWTHCQ-JQAMDZJQSA-N Google Search
Mol Weight	529.46 g/mol
Molecular Formula	C21H14F3N9O3S
Exact Mass	529.089241 g/mol

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SpectraBase Spectrum ID	1PfD4fIQ53h
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
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/C21H14F3N9O3S/c22-21(23,24)12-6-2-1-5-11(12)9-26-29-19(34)16-14(33(32-28-16)18-17(25)30-36-31-18)10-37-20-27-13-7-3-4-8-15(13)35-20/h1-9H,10H2,(H2,25,30)(H,29,34)/b26-9+
InChIKey	SJRREYOHTWTHCQ-JQAMDZJQSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1607
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: UZI/8025326; UBI_ID: UBI-001608
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-N'-{[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	313 °C