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3-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-phenyl-2-quinolinol

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3-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-phenyl-2-quinolinol
SpectraBase Compound ID 7qWWqTOXP6J
InChI InChI=1S/C25H18ClN5OS/c1-2-14-31-23(17-10-12-27-13-11-17)29-30-25(31)33-22-21(16-6-4-3-5-7-16)19-9-8-18(26)15-20(19)28-24(22)32/h2-13,15H,1,14H2,(H,28,32)
InChIKey LUAYZONDOCLWNV-UHFFFAOYSA-N
Mol Weight 471.97 g/mol
Molecular Formula C25H18ClN5OS
Exact Mass 471.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5foB8x7FA0S
Name 3-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-phenyl-2-quinolinol
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/C25H18ClN5OS/c1-2-14-31-23(17-10-12-27-13-11-17)29-30-25(31)33-22-21(16-6-4-3-5-7-16)19-9-8-18(26)15-20(19)28-24(22)32/h2-13,15H,1,14H2,(H,28,32)
InChIKey LUAYZONDOCLWNV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18291
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: UZI/9121349; UBI_ID: UBI-018294
Temperature 308 °C