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

SpectraBase Compound ID	3chD3Rr4amu
InChI	InChI=1S/C18H16ClF3N4O2S/c1-3-29-17-25-24-16(18(20,21)22)26(17)23-9-13-4-5-14(28-13)10-27-12-6-7-15(19)11(2)8-12/h4-9H,3,10H2,1-2H3/b23-9+
InChIKey	WXKCDJIXOMLWJQ-NUGSKGIGSA-N Google Search
Mol Weight	444.86 g/mol
Molecular Formula	C18H16ClF3N4O2S
Exact Mass	444.063459 g/mol

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SpectraBase Spectrum ID	FPRfNqAXome
Name	N-((E)-{5-[(4-chloro-3-methylphenoxy)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/C18H16ClF3N4O2S/c1-3-29-17-25-24-16(18(20,21)22)26(17)23-9-13-4-5-14(28-13)10-27-12-6-7-15(19)11(2)8-12/h4-9H,3,10H2,1-2H3/b23-9+
InChIKey	WXKCDJIXOMLWJQ-NUGSKGIGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31199
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: 1740478; SBI_ID: SBI-031203
Synonyms	N-((E)-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
Temperature	318 °C