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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide

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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID CaJCR1jLU4L
InChI InChI=1S/C20H18N8O2S/c1-12-3-7-14(8-4-12)17-16(23-27-28(17)19-18(21)25-30-26-19)20(29)24-22-11-13-5-9-15(31-2)10-6-13/h3-11H,1-2H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey GEGWFIMVPVBABN-SSDVNMTOSA-N
Mol Weight 434.48 g/mol
Molecular Formula C20H18N8O2S
Exact Mass 434.127343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLIg1T0GZSC
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-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/C20H18N8O2S/c1-12-3-7-14(8-4-12)17-16(23-27-28(17)19-18(21)25-30-26-19)20(29)24-22-11-13-5-9-15(31-2)10-6-13/h3-11H,1-2H3,(H2,21,25)(H,24,29)/b22-11+
InChIKey GEGWFIMVPVBABN-SSDVNMTOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23157
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: D37143; Labnumber: NIG1-2125; SBI_ID: SBI-023161
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-N'-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Temperature 306 °C