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

SpectraBase Compound ID	6s8ut884cly
InChI	InChI=1S/C13H10I2N6OS/c1-6-2-10(18-17-6)12-19-20-13(23)21(12)16-5-7-3-8(14)4-9(15)11(7)22/h2-5,22H,1H3,(H,17,18)(H,20,23)/b16-5+
InChIKey	GNWRZBDHGZDRNF-FZSIALSZSA-N Google Search
Mol Weight	552.13 g/mol
Molecular Formula	C13H10I2N6OS
Exact Mass	551.87262 g/mol

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SpectraBase Spectrum ID	5zvLI2uuVZD
Name	2,4-diiodo-6-((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/C13H10I2N6OS/c1-6-2-10(18-17-6)12-19-20-13(23)21(12)16-5-7-3-8(14)4-9(15)11(7)22/h2-5,22H,1H3,(H,17,18)(H,20,23)/b16-5+
InChIKey	GNWRZBDHGZDRNF-FZSIALSZSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4121
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: E00804; Labnumber: GRES-30444; SBI_ID: SBI-004123
Synonyms	2,4-diiodo-6-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature	308 °C