2-allyl-6-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

SpectraBase Compound ID	BxecmO1pqDs
InChI	InChI=1S/C20H20N4O2S/c1-3-7-14-8-5-10-16(18(14)25)13-21-24-19(22-23-20(24)27)15-9-6-11-17(12-15)26-4-2/h3,5-6,8-13,25H,1,4,7H2,2H3,(H,23,27)/b21-13+
InChIKey	XQACJWLTELTXCE-FYJGNVAPSA-N Google Search
Mol Weight	380.47 g/mol
Molecular Formula	C20H20N4O2S
Exact Mass	380.130697 g/mol

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SpectraBase Spectrum ID	8Pn4AWzdeCS
Name	2-allyl-6-((E)-{[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)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/C20H20N4O2S/c1-3-7-14-8-5-10-16(18(14)25)13-21-24-19(22-23-20(24)27)15-9-6-11-17(12-15)26-4-2/h3,5-6,8-13,25H,1,4,7H2,2H3,(H,23,27)/b21-13+
InChIKey	XQACJWLTELTXCE-FYJGNVAPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16469
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: D25356; Labnumber: GRES-03581; SBI_ID: SBI-016472
Synonyms	2-allyl-6-({[3-(3-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	318 °C