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

SpectraBase Compound ID	6nDJaqGQcYr
InChI	InChI=1S/C17H13ClF4N4O2S/c1-2-29-16-25-24-15(17(20,21)22)26(16)23-8-11-4-5-12(28-11)9-27-14-6-3-10(19)7-13(14)18/h3-8H,2,9H2,1H3/b23-8+
InChIKey	ULGHBRWYOHZYHP-LIMNOBDPSA-N Google Search
Mol Weight	448.82 g/mol
Molecular Formula	C17H13ClF4N4O2S
Exact Mass	448.038387 g/mol

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SpectraBase Spectrum ID	5eQYL3jZ5jO
Name	N-((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-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/C17H13ClF4N4O2S/c1-2-29-16-25-24-15(17(20,21)22)26(16)23-8-11-4-5-12(28-11)9-27-14-6-3-10(19)7-13(14)18/h3-8H,2,9H2,1H3/b23-8+
InChIKey	ULGHBRWYOHZYHP-LIMNOBDPSA-N
NMR Offset	17.9129
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_31182
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: 1739206; SBI_ID: SBI-031186
Synonyms	N-((E)-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	303 °C