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

SpectraBase Compound ID	I3NCBouukPW
InChI	InChI=1S/C14H13BrN6O2S/c1-7-3-10(18-17-7)13-19-20-14(24)21(13)16-6-8-4-9(15)12(22)11(5-8)23-2/h3-6,22H,1-2H3,(H,17,18)(H,20,24)/b16-6+
InChIKey	HHMIHOIOENFGNG-OMCISZLKSA-N Google Search
Mol Weight	409.26 g/mol
Molecular Formula	C14H13BrN6O2S
Exact Mass	408.000408 g/mol

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SpectraBase Spectrum ID	BunNInX6FP0
Name	2-bromo-6-methoxy-4-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-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/C14H13BrN6O2S/c1-7-3-10(18-17-7)13-19-20-14(24)21(13)16-6-8-4-9(15)12(22)11(5-8)23-2/h3-6,22H,1-2H3,(H,17,18)(H,20,24)/b16-6+
InChIKey	HHMIHOIOENFGNG-OMCISZLKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10587
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: E00690; Labnumber: GRES-22959; SBI_ID: SBI-010590
Synonyms	2-bromo-6-methoxy-4-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	318 °C