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

SpectraBase Compound ID	HHPEXKxy4Z4
InChI	InChI=1S/C17H15BrN4O2S/c1-2-24-14-6-3-11(4-7-14)16-20-21-17(25)22(16)19-10-12-9-13(18)5-8-15(12)23/h3-10,23H,2H2,1H3,(H,21,25)/b19-10+
InChIKey	KFLKTVNJBFCCJQ-VXLYETTFSA-N Google Search
Mol Weight	419.3 g/mol
Molecular Formula	C17H15BrN4O2S
Exact Mass	418.00991 g/mol

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SpectraBase Spectrum ID	5f5B6XEIAg4
Name	4-bromo-2-((E)-{[3-(4-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/C17H15BrN4O2S/c1-2-24-14-6-3-11(4-7-14)16-20-21-17(25)22(16)19-10-12-9-13(18)5-8-15(12)23/h3-10,23H,2H2,1H3,(H,21,25)/b19-10+
InChIKey	KFLKTVNJBFCCJQ-VXLYETTFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_16485
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: D25398; Labnumber: GRES-03635; SBI_ID: SBI-016488
Synonyms	4-bromo-2-({[3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	318 °C