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4-{[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HCtihUeW9yk
InChI InChI=1S/C21H18N6OS/c1-28-19-12-6-5-10-16(19)11-7-13-22-27-20(25-26-21(27)29)18-14-17(23-24-18)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24)(H,26,29)/b11-7+,22-13+
InChIKey RTOMJQZDJGEQAE-AIDHTSIMSA-N
Mol Weight 402.48 g/mol
Molecular Formula C21H18N6OS
Exact Mass 402.12628 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hfv7Fd8gi72
Name 4-{[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]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/C21H18N6OS/c1-28-19-12-6-5-10-16(19)11-7-13-22-27-20(25-26-21(27)29)18-14-17(23-24-18)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24)(H,26,29)/b11-7+,22-13+
InChIKey RTOMJQZDJGEQAE-AIDHTSIMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10537
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: E00590; Labnumber: GRES-16060; SBI_ID: SBI-010540
Synonyms 4-{[(E,2E)-3-(2-methoxyphenyl)-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[3-(2-methoxyphenyl)-2-propenylidene]amino}-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C