[2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid

SpectraBase Compound ID	BvzgCG45Awv
InChI	InChI=1S/C20H16N6O3S/c27-18(28)12-29-17-9-5-4-8-14(17)11-21-26-19(24-25-20(26)30)16-10-15(22-23-16)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)(H,25,30)(H,27,28)/b21-11+
InChIKey	OALFCMWMFNZHKL-SRZZPIQSSA-N Google Search
Mol Weight	420.45 g/mol
Molecular Formula	C20H16N6O3S
Exact Mass	420.10046 g/mol

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SpectraBase Spectrum ID	G0Y1HKYbvNt
Name	[2-((E)-{[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid
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/C20H16N6O3S/c27-18(28)12-29-17-9-5-4-8-14(17)11-21-26-19(24-25-20(26)30)16-10-15(22-23-16)13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)(H,25,30)(H,27,28)/b21-11+
InChIKey	OALFCMWMFNZHKL-SRZZPIQSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10575
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: E00670; Labnumber: GRES-21966; SBI_ID: SBI-010578
Synonyms	[2-({[3-(3-phenyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenoxy]acetic acid
Temperature	318 °C