N-((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	bIQ4RxZA5I
InChI	InChI=1S/C20H17ClN4O3S/c1-13-5-3-6-16(21)18(13)27-12-15-9-8-14(28-15)11-22-25-19(17-7-4-10-26-17)23-24-20(25)29-2/h3-11H,12H2,1-2H3/b22-11+
InChIKey	XOTQPZVNMUSSJI-SSDVNMTOSA-N Google Search
Mol Weight	428.89 g/mol
Molecular Formula	C20H17ClN4O3S
Exact Mass	428.070989 g/mol

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SpectraBase Spectrum ID	EtSgsNYrUcy
Name	N-((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-3-(2-furyl)-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/C20H17ClN4O3S/c1-13-5-3-6-16(21)18(13)27-12-15-9-8-14(28-15)11-22-25-19(17-7-4-10-26-17)23-24-20(25)29-2/h3-11H,12H2,1-2H3/b22-11+
InChIKey	XOTQPZVNMUSSJI-SSDVNMTOSA-N
NMR Offset	17.9097
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_31134
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: 1735037; SBI_ID: SBI-031138
Synonyms	N-((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-N-[3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]amineN-({5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)-3-(2-furyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Temperature	303 °C