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4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 7nm8oIq0VS3
InChI InChI=1S/C21H19N7S/c1-3-27-18-7-5-4-6-15(18)16-11-14(8-9-19(16)27)12-22-28-20(25-26-21(28)29)17-10-13(2)23-24-17/h4-12H,3H2,1-2H3,(H,23,24)(H,26,29)/b22-12+
InChIKey CPRYOLMVLYEMHD-WSDLNYQXSA-N
Mol Weight 401.49 g/mol
Molecular Formula C21H19N7S
Exact Mass 401.142265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CjMV2cAeTjJ
Name 4-{[(E)-(9-ethyl-9H-carbazol-3-yl)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/C21H19N7S/c1-3-27-18-7-5-4-6-15(18)16-11-14(8-9-19(16)27)12-22-28-20(25-26-21(28)29)17-10-13(2)23-24-17/h4-12H,3H2,1-2H3,(H,23,24)(H,26,29)/b22-12+
InChIKey CPRYOLMVLYEMHD-WSDLNYQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10517
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: E00563; Labnumber: GRES-13386; SBI_ID: SBI-010520
Synonyms 4-{[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(9-ethyl-9H-carbazol-3-yl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C