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

SpectraBase Compound ID	BCW71tXm8kc
InChI	InChI=1S/C16H12ClF3N4O2S/c1-27-16-23-22-15(14(19)20)24(16)21-7-10-2-3-11(26-10)8-25-9-4-5-13(18)12(17)6-9/h2-7,14H,8H2,1H3/b21-7+
InChIKey	ZGDYQTSOWQDADR-QPSGOUHRSA-N Google Search
Mol Weight	416.81 g/mol
Molecular Formula	C16H12ClF3N4O2S
Exact Mass	416.032159 g/mol

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SpectraBase Spectrum ID	4F5NkMELsKY
Name	N-((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(difluoromethyl)-5-(methylsulfanyl)-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/C16H12ClF3N4O2S/c1-27-16-23-22-15(14(19)20)24(16)21-7-10-2-3-11(26-10)8-25-9-4-5-13(18)12(17)6-9/h2-7,14H,8H2,1H3/b21-7+
InChIKey	ZGDYQTSOWQDADR-QPSGOUHRSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31216
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: 1747492; SBI_ID: SBI-031220
Synonyms	N-((E)-{5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(3-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Temperature	308 °C