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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID E7PGTNbSU7F
InChI InChI=1S/C19H16N6OS/c1-13-10-17(22-21-13)18-23-24-19(27)25(18)20-12-14-6-5-9-16(11-14)26-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22)(H,24,27)/b20-12+
InChIKey BTQDFZPKFKIFFA-UDWIEESQSA-N
Mol Weight 376.44 g/mol
Molecular Formula C19H16N6OS
Exact Mass 376.11063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKq0XAyAgj6
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-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/C19H16N6OS/c1-13-10-17(22-21-13)18-23-24-19(27)25(18)20-12-14-6-5-9-16(11-14)26-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,22)(H,24,27)/b20-12+
InChIKey BTQDFZPKFKIFFA-UDWIEESQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10543
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: E00600; Labnumber: GRES-16735; SBI_ID: SBI-010546
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[(3-phenoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C