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4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID AR1G0Q7gvPE
InChI InChI=1S/C11H9BrN6S2/c1-6-4-8(15-14-6)10-16-17-11(19)18(10)13-5-7-2-3-9(12)20-7/h2-5H,1H3,(H,14,15)(H,17,19)/b13-5+
InChIKey QXNPWACZJLYZLB-WLRTZDKTSA-N
Mol Weight 369.26 g/mol
Molecular Formula C11H9BrN6S2
Exact Mass 367.95135 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtixhTtHph6
Name 4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-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/C11H9BrN6S2/c1-6-4-8(15-14-6)10-16-17-11(19)18(10)13-5-7-2-3-9(12)20-7/h2-5H,1H3,(H,14,15)(H,17,19)/b13-5+
InChIKey QXNPWACZJLYZLB-WLRTZDKTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10557
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: E00629; Labnumber: GRES-18624; SBI_ID: SBI-010560
Synonyms 4-{[(E)-(5-bromo-2-thienyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-thienyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C