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2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[(5-methyl-2-thienyl)methylene]hydrazino}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
SpectraBase Compound ID JEIpysyysQs
InChI InChI=1S/C19H18N10O3S/c1-10-6-7-11(33-10)8-23-25-19(31)15-14(29(28-24-15)18-16(20)26-32-27-18)9-22-13-5-3-2-4-12(13)17(21)30/h2-8,22H,9H2,1H3,(H2,20,26)(H2,21,30)(H,25,31)/b23-8+
InChIKey ADNYLHROQPKRLT-LIMNOBDPSA-N
Mol Weight 466.48 g/mol
Molecular Formula C19H18N10O3S
Exact Mass 466.128406 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hd4UYhroHBD
Name 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[(5-methyl-2-thienyl)methylene]hydrazino}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
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/C19H18N10O3S/c1-10-6-7-11(33-10)8-23-25-19(31)15-14(29(28-24-15)18-16(20)26-32-27-18)9-22-13-5-3-2-4-12(13)17(21)30/h2-8,22H,9H2,1H3,(H2,20,26)(H2,21,30)(H,25,31)/b23-8+
InChIKey ADNYLHROQPKRLT-LIMNOBDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28030
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: D80124; Labnumber: NIG2-1240; SBI_ID: SBI-028034
Synonyms 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({2-[(5-methyl-2-thienyl)methylene]hydrazino}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
Temperature 318 °C