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4-[((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 4YpiSxugaWq
InChI InChI=1S/C18H19ClN4O2S/c1-4-16-21-22-18(26)23(16)20-9-13-5-6-14(25-13)10-24-15-7-11(2)17(19)12(3)8-15/h5-9H,4,10H2,1-3H3,(H,22,26)/b20-9+
InChIKey SSNZITTWTZIRNZ-AWQFTUOYSA-N
Mol Weight 390.89 g/mol
Molecular Formula C18H19ClN4O2S
Exact Mass 390.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8yo01Pyv76q
Name 4-[((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
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/C18H19ClN4O2S/c1-4-16-21-22-18(26)23(16)20-9-13-5-6-14(25-13)10-24-15-7-11(2)17(19)12(3)8-15/h5-9H,4,10H2,1-3H3,(H,22,26)/b20-9+
InChIKey SSNZITTWTZIRNZ-AWQFTUOYSA-N
NMR Offset 17.9125
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31257
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: 1751435; SBI_ID: SBI-031261
Synonyms 4-[((E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol4-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-furyl}methylidene)amino]-5-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 303 °C