4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	SHt335RRkN
InChI	InChI=1S/C17H14BrFN4OS/c1-2-24-14-6-3-11(4-7-14)16-21-22-17(25)23(16)20-10-12-9-13(18)5-8-15(12)19/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey	GSCYEBNSXFIZQL-KEBDBYFISA-N Google Search
Mol Weight	421.29 g/mol
Molecular Formula	C17H14BrFN4OS
Exact Mass	420.005573 g/mol

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SpectraBase Spectrum ID	FYxMZtzak8h
Name	4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
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/C17H14BrFN4OS/c1-2-24-14-6-3-11(4-7-14)16-21-22-17(25)23(16)20-10-12-9-13(18)5-8-15(12)19/h3-10H,2H2,1H3,(H,22,25)/b20-10+
InChIKey	GSCYEBNSXFIZQL-KEBDBYFISA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16502
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: D25448; Labnumber: GRES-03693; SBI_ID: SBI-016505
Synonyms	4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C