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4-(1,3-benzodioxol-5-yl)-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl hydrosulfide

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4-(1,3-benzodioxol-5-yl)-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID JMsOisBSZDB
InChI InChI=1S/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)
InChIKey GPVXFBBLIMUJAK-UHFFFAOYSA-N
Mol Weight 348.38 g/mol
Molecular Formula C18H12N4O2S
Exact Mass 348.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfPTrveBffB
Name 4-(1,3-benzodioxol-5-yl)-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)
InChIKey GPVXFBBLIMUJAK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24529
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: D47593; Labnumber: NCOBK-0530; SBI_ID: SBI-024533
Synonyms 4-(1,3-benzodioxol-5-yl)-5-(2-quinolinyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C