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

SpectraBase Compound ID	kO2l76kf32
InChI	InChI=1S/C22H21ClN4O3S/c1-4-31-22-26-25-21(19-6-5-9-28-19)27(22)24-12-16-7-8-17(30-16)13-29-18-10-14(2)20(23)15(3)11-18/h5-12H,4,13H2,1-3H3/b24-12+
InChIKey	MIIRDQWWJKLFTH-WYMPLXKRSA-N Google Search
Mol Weight	456.95 g/mol
Molecular Formula	C22H21ClN4O3S
Exact Mass	456.102289 g/mol

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SpectraBase Spectrum ID	I6Decp61aVJ
Name	N-((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(2-furyl)-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/C22H21ClN4O3S/c1-4-31-22-26-25-21(19-6-5-9-28-19)27(22)24-12-16-7-8-17(30-16)13-29-18-10-14(2)20(23)15(3)11-18/h5-12H,4,13H2,1-3H3/b24-12+
InChIKey	MIIRDQWWJKLFTH-WYMPLXKRSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31162
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: 1737434; SBI_ID: SBI-031166
Synonyms	N-((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(ethylsulfanyl)-5-(2-furyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)-3-(ethylsulfanyl)-5-(2-furyl)-4H-1,2,4-triazol-4-amine
Temperature	315 °C