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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-3-pyridinylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID AdkZfwfAhDr
InChI InChI=1S/C12H11N7S/c1-8-5-10(16-15-8)11-17-18-12(20)19(11)14-7-9-3-2-4-13-6-9/h2-7H,1H3,(H,15,16)(H,18,20)/b14-7+
InChIKey INBKGZRKKNDZTI-VGOFMYFVSA-N
Mol Weight 285.33 g/mol
Molecular Formula C12H11N7S
Exact Mass 285.079665 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBJ6WI0a1Hs
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-3-pyridinylmethylidene]amino}-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/C12H11N7S/c1-8-5-10(16-15-8)11-17-18-12(20)19(11)14-7-9-3-2-4-13-6-9/h2-7H,1H3,(H,15,16)(H,18,20)/b14-7+
InChIKey INBKGZRKKNDZTI-VGOFMYFVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10555
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: E00626; Labnumber: GRES-18417; SBI_ID: SBI-010558
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-3-pyridinylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[3-pyridinylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C