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4-{[(E,2E)-2-methyl-3-phenyl-2-propenylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID q1eCMSOu8D
InChI InChI=1S/C16H16N6S/c1-11(8-13-6-4-3-5-7-13)10-17-22-15(20-21-16(22)23)14-9-12(2)18-19-14/h3-10H,1-2H3,(H,18,19)(H,21,23)/b11-8+,17-10+
InChIKey CSRRLOZTJJYBPL-VFOYLBQGSA-N
Mol Weight 324.41 g/mol
Molecular Formula C16H16N6S
Exact Mass 324.115716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JkObKMPVPIv
Name 4-{[(E,2E)-2-methyl-3-phenyl-2-propenylidene]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/C16H16N6S/c1-11(8-13-6-4-3-5-7-13)10-17-22-15(20-21-16(22)23)14-9-12(2)18-19-14/h3-10H,1-2H3,(H,18,19)(H,21,23)/b11-8+,17-10+
InChIKey CSRRLOZTJJYBPL-VFOYLBQGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10530
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: E00581; Labnumber: GRES-15474; SBI_ID: SBI-010533
Synonyms 4-{[(E,2E)-2-methyl-3-phenyl-2-propenylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[2-methyl-3-phenyl-2-propenylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C