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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(5-chloro-2-thienyl)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 7NjWomsOPCD
InChI InChI=1S/C19H17ClN8O2S2/c1-10-3-5-12(6-4-10)31-9-13-16(23-27-28(13)18-17(21)25-30-26-18)19(29)24-22-11(2)14-7-8-15(20)32-14/h3-8H,9H2,1-2H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey CNWXCQPSZUIXHZ-SSDVNMTOSA-N
Mol Weight 488.97 g/mol
Molecular Formula C19H17ClN8O2S2
Exact Mass 488.060442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzsGMej2XUb
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1-(5-chloro-2-thienyl)ethylidene]-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/C19H17ClN8O2S2/c1-10-3-5-12(6-4-10)31-9-13-16(23-27-28(13)18-17(21)25-30-26-18)19(29)24-22-11(2)14-7-8-15(20)32-14/h3-8H,9H2,1-2H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey CNWXCQPSZUIXHZ-SSDVNMTOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28090
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: D80337; Labnumber: NIG2-2337; SBI_ID: SBI-028094
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(5-chloro-2-thienyl)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 318 °C