2-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-5-(diethylamino)phenol

SpectraBase Compound ID	BnYn5rQiDRG
InChI	InChI=1S/C19H20ClN5OS/c1-3-24(4-2)14-10-9-13(17(26)11-14)12-21-25-18(22-23-19(25)27)15-7-5-6-8-16(15)20/h5-12,26H,3-4H2,1-2H3,(H,23,27)/b21-12+
InChIKey	GBCQXDYDTICGJH-CIAFOILYSA-N Google Search
Mol Weight	401.92 g/mol
Molecular Formula	C19H20ClN5OS
Exact Mass	401.107709 g/mol

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SpectraBase Spectrum ID	BWdBI51hwc9
Name	2-((E)-{[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-5-(diethylamino)phenol
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/C19H20ClN5OS/c1-3-24(4-2)14-10-9-13(17(26)11-14)12-21-25-18(22-23-19(25)27)15-7-5-6-8-16(15)20/h5-12,26H,3-4H2,1-2H3,(H,23,27)/b21-12+
InChIKey	GBCQXDYDTICGJH-CIAFOILYSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16527
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: D24906; Labnumber: GRES-02919; SBI_ID: SBI-016530
Synonyms	2-({[3-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-5-(diethylamino)phenol
Temperature	308 °C