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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 1JFecR68n3X
InChI InChI=1S/C12H12N6S2/c1-7-5-10(15-14-7)11-16-17-12(19)18(11)13-6-9-4-3-8(2)20-9/h3-6H,1-2H3,(H,14,15)(H,17,19)/b13-6+
InChIKey BEWBQJJGUXRXEE-AWNIVKPZSA-N
Mol Weight 304.39 g/mol
Molecular Formula C12H12N6S2
Exact Mass 304.056487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5tem1yn0742
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(5-methyl-2-thienyl)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/C12H12N6S2/c1-7-5-10(15-14-7)11-16-17-12(19)18(11)13-6-9-4-3-8(2)20-9/h3-6H,1-2H3,(H,14,15)(H,17,19)/b13-6+
InChIKey BEWBQJJGUXRXEE-AWNIVKPZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10522
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: E00572; Labnumber: GRES-14324; SBI_ID: SBI-010525
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C