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4-[((E)-{5-[(2,6-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID LYHcyaGGgdq
InChI InChI=1S/C18H12Cl2N4O2S2/c19-13-3-1-4-14(20)16(13)25-10-12-7-6-11(26-12)9-21-24-17(22-23-18(24)27)15-5-2-8-28-15/h1-9H,10H2,(H,23,27)/b21-9+
InChIKey BQLYDRQJCKFBCK-ZVBGSRNCSA-N
Mol Weight 451.35 g/mol
Molecular Formula C18H12Cl2N4O2S2
Exact Mass 449.977873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsQS0QoAnZx
Name 4-[((E)-{5-[(2,6-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
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/C18H12Cl2N4O2S2/c19-13-3-1-4-14(20)16(13)25-10-12-7-6-11(26-12)9-21-24-17(22-23-18(24)27)15-5-2-8-28-15/h1-9H,10H2,(H,23,27)/b21-9+
InChIKey BQLYDRQJCKFBCK-ZVBGSRNCSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31175
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: 1738329; SBI_ID: SBI-031179
Synonyms 4-[((E)-{5-[(2,6-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2,6-dichlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
Temperature 303 °C