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5-(2-chlorophenyl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 7QX6alII2s8
InChI InChI=1S/C18H17ClN4O3S/c1-24-11-8-15(25-2)13(16(9-11)26-3)10-20-23-17(21-22-18(23)27)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,22,27)/b20-10+
InChIKey MZHVBQWTFKCBSL-KEBDBYFISA-N
Mol Weight 404.87 g/mol
Molecular Formula C18H17ClN4O3S
Exact Mass 404.070989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JaZP4aqsHDZ
Name 5-(2-chlorophenyl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-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/C18H17ClN4O3S/c1-24-11-8-15(25-2)13(16(9-11)26-3)10-20-23-17(21-22-18(23)27)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,22,27)/b20-10+
InChIKey MZHVBQWTFKCBSL-KEBDBYFISA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16542
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: D24943; Labnumber: GRES-02959; SBI_ID: SBI-016545
Synonyms 5-(2-chlorophenyl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol5-(2-chlorophenyl)-4-{[(2,4,6-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C