4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	6atCrWdJpv4
InChI	InChI=1S/C23H19ClN4O2S/c1-29-21-13-17(11-12-20(21)30-15-16-7-3-2-4-8-16)14-25-28-22(26-27-23(28)31)18-9-5-6-10-19(18)24/h2-14H,15H2,1H3,(H,27,31)/b25-14+
InChIKey	QQYKUODHMSCRNT-AFUMVMLFSA-N Google Search
Mol Weight	450.94 g/mol
Molecular Formula	C23H19ClN4O2S
Exact Mass	450.091725 g/mol

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SpectraBase Spectrum ID	AX9X7utcRkg
Name	4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
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/C23H19ClN4O2S/c1-29-21-13-17(11-12-20(21)30-15-16-7-3-2-4-8-16)14-25-28-22(26-27-23(28)31)18-9-5-6-10-19(18)24/h2-14H,15H2,1H3,(H,27,31)/b25-14+
InChIKey	QQYKUODHMSCRNT-AFUMVMLFSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16516
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: D24884; Labnumber: GRES-02897; SBI_ID: SBI-016519
Synonyms	4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Temperature	308 °C