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4-[((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5JE4ouEkIog
InChI InChI=1S/C16H15ClN4O2S/c1-10-4-3-5-14(17)15(10)22-9-13-7-6-12(23-13)8-18-21-11(2)19-20-16(21)24/h3-8H,9H2,1-2H3,(H,20,24)/b18-8+
InChIKey RKXQADXUANEKRP-QGMBQPNBSA-N
Mol Weight 362.84 g/mol
Molecular Formula C16H15ClN4O2S
Exact Mass 362.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HHmmn7P7kd8
Name 4-[((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-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/C16H15ClN4O2S/c1-10-4-3-5-14(17)15(10)22-9-13-7-6-12(23-13)8-18-21-11(2)19-20-16(21)24/h3-8H,9H2,1-2H3,(H,20,24)/b18-8+
InChIKey RKXQADXUANEKRP-QGMBQPNBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29851
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: 1311352; SBI_ID: SBI-029855
Synonyms 4-[((E)-{5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide4-[({5-[(2-chloro-6-methylphenoxy)methyl]-2-furyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Temperature 318 °C