1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

SpectraBase Compound ID	HQ7h0Y0qEqq
InChI	InChI=1S/C20H16ClFN8O2S/c1-11-5-7-12(8-6-11)33-10-16-17(25-29-30(16)19-18(23)27-32-28-19)20(31)26-24-9-13-14(21)3-2-4-15(13)22/h2-9H,10H2,1H3,(H2,23,27)(H,26,31)/b24-9+
InChIKey	GYCKTDKFGDRMCK-PGGKNCGUSA-N Google Search
Mol Weight	486.91 g/mol
Molecular Formula	C20H16ClFN8O2S
Exact Mass	486.078949 g/mol

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SpectraBase Spectrum ID	CNKq1MXbjPh
Name	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
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/C20H16ClFN8O2S/c1-11-5-7-12(8-6-11)33-10-16-17(25-29-30(16)19-18(23)27-32-28-19)20(31)26-24-9-13-14(21)3-2-4-15(13)22/h2-9H,10H2,1H3,(H2,23,27)(H,26,31)/b24-9+
InChIKey	GYCKTDKFGDRMCK-PGGKNCGUSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3661
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: D80009; Labnumber: NIG2-0551; SBI_ID: SBI-003663
Synonyms	1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(2-chloro-6-fluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature	318 °C