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4-[((E)-{5-[(4-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9R268KTVK3c
InChI InChI=1S/C18H13ClN4O3S/c19-12-3-5-13(6-4-12)25-11-15-8-7-14(26-15)10-20-23-17(21-22-18(23)27)16-2-1-9-24-16/h1-10H,11H2,(H,22,27)/b20-10+
InChIKey RULYNXQFFGXFPQ-KEBDBYFISA-N
Mol Weight 400.84 g/mol
Molecular Formula C18H13ClN4O3S
Exact Mass 400.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LY11G9tcxpH
Name 4-[((E)-{5-[(4-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-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/C18H13ClN4O3S/c19-12-3-5-13(6-4-12)25-11-15-8-7-14(26-15)10-20-23-17(21-22-18(23)27)16-2-1-9-24-16/h1-10H,11H2,(H,22,27)/b20-10+
InChIKey RULYNXQFFGXFPQ-KEBDBYFISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31144
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: 1736004; SBI_ID: SBI-031148
Synonyms 4-[((E)-{5-[(4-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(4-chlorophenoxy)methyl]-2-furyl}methylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
Temperature 308 °C