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

SpectraBase Compound ID	GQJjxQtBFS3
InChI	InChI=1S/C16H12BrFN4OS/c1-23-14-7-2-10(8-13(14)17)9-19-22-15(20-21-16(22)24)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	RWMDVFHQDRFIJN-DJKKODMXSA-N Google Search
Mol Weight	407.26 g/mol
Molecular Formula	C16H12BrFN4OS
Exact Mass	405.989923 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	EjEt7pzorjz
Name	4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-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/C16H12BrFN4OS/c1-23-14-7-2-10(8-13(14)17)9-19-22-15(20-21-16(22)24)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,21,24)/b19-9+
InChIKey	RWMDVFHQDRFIJN-DJKKODMXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27157
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: D75397; Labnumber: GRESKO-5803; SBI_ID: SBI-027161
Synonyms	4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature	318 °C