N-[(E)-(5-bromo-2-fluorophenyl)methylidene]-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	2hYtRiZq1C2
InChI	InChI=1S/C14H14BrF3N4S/c1-2-3-6-23-14-21-20-13(12(17)18)22(14)19-8-9-7-10(15)4-5-11(9)16/h4-5,7-8,12H,2-3,6H2,1H3/b19-8+
InChIKey	YOGDAVHLDPYHHH-UFWORHAWSA-N Google Search
Mol Weight	407.25 g/mol
Molecular Formula	C14H14BrF3N4S
Exact Mass	406.007465 g/mol

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SpectraBase Spectrum ID	BFa68OqPHUn
Name	N-[(E)-(5-bromo-2-fluorophenyl)methylidene]-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
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/C14H14BrF3N4S/c1-2-3-6-23-14-21-20-13(12(17)18)22(14)19-8-9-7-10(15)4-5-11(9)16/h4-5,7-8,12H,2-3,6H2,1H3/b19-8+
InChIKey	YOGDAVHLDPYHHH-UFWORHAWSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32181
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: 1844707; SBI_ID: SBI-032185
Synonyms	N-[(E)-(5-bromo-2-fluorophenyl)methylidene]-N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]amineN-[(5-bromo-2-fluorophenyl)methylidene]-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	318 °C