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4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 4OXcpMJ4uSy
InChI InChI=1S/C13H11BrN6S/c1-8-6-11(17-16-8)12-18-19-13(21)20(12)15-7-9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)(H,19,21)/b15-7+
InChIKey YCIDJVCQERYXNC-VIZOYTHASA-N
Mol Weight 363.24 g/mol
Molecular Formula C13H11BrN6S
Exact Mass 361.994929 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Zj8r5Mrx3m
Name 4-{[(E)-(4-bromophenyl)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/C13H11BrN6S/c1-8-6-11(17-16-8)12-18-19-13(21)20(12)15-7-9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)(H,19,21)/b15-7+
InChIKey YCIDJVCQERYXNC-VIZOYTHASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10499
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: E00524; Labnumber: GRES-10512; SBI_ID: SBI-010502
Synonyms 4-{[(E)-(4-bromophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-bromophenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C