N-((E)-{5-[(4-bromophenoxy)methyl]-2-furyl}methylidene)-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	IclL843KxA0
InChI	InChI=1S/C19H19BrF2N4O2S/c1-2-3-10-29-19-25-24-18(17(21)22)26(19)23-11-15-8-9-16(28-15)12-27-14-6-4-13(20)5-7-14/h4-9,11,17H,2-3,10,12H2,1H3/b23-11+
InChIKey	IEMCVBVEJWTGPW-FOKLQQMPSA-N Google Search
Mol Weight	485.35 g/mol
Molecular Formula	C19H19BrF2N4O2S
Exact Mass	484.038016 g/mol

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SpectraBase Spectrum ID	A9Cqyp5tuKD
Name	N-((E)-{5-[(4-bromophenoxy)methyl]-2-furyl}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/C19H19BrF2N4O2S/c1-2-3-10-29-19-25-24-18(17(21)22)26(19)23-11-15-8-9-16(28-15)12-27-14-6-4-13(20)5-7-14/h4-9,11,17H,2-3,10,12H2,1H3/b23-11+
InChIKey	IEMCVBVEJWTGPW-FOKLQQMPSA-N
NMR Offset	17.9117
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_32183
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: 1844711; SBI_ID: SBI-032187
Synonyms	N-((E)-{5-[(4-bromophenoxy)methyl]-2-furyl}methylidene)-N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(4-bromophenoxy)methyl]-2-furyl}methylidene)-3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	303 °C