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4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID K5T1objHJ1I
InChI InChI=1S/C19H15BrN6OS/c1-27-17-8-7-14(20)9-13(17)11-21-26-18(24-25-19(26)28)16-10-15(22-23-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)(H,25,28)/b21-11+
InChIKey YPWUGDDHZJCZHM-SRZZPIQSSA-N
Mol Weight 455.33 g/mol
Molecular Formula C19H15BrN6OS
Exact Mass 454.021143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2E3JXvtMzFH
Name 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-phenyl-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/C19H15BrN6OS/c1-27-17-8-7-14(20)9-13(17)11-21-26-18(24-25-19(26)28)16-10-15(22-23-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)(H,25,28)/b21-11+
InChIKey YPWUGDDHZJCZHM-SRZZPIQSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10486
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: E00504; Labnumber: GRES-09241; SBI_ID: SBI-010489
Synonyms 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C