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N-(5-chloro-2-methoxyphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Iik2JqacisV
InChI InChI=1S/C22H18ClN5O2S/c1-30-19-10-9-16(23)12-18(19)25-20(29)14-31-22-27-26-21(15-6-5-11-24-13-15)28(22)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,29)
InChIKey HAPLNSCTMKLFDZ-UHFFFAOYSA-N
Mol Weight 451.93 g/mol
Molecular Formula C22H18ClN5O2S
Exact Mass 451.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Isa9dR7Pou2
Name N-(5-chloro-2-methoxyphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C22H18ClN5O2S/c1-30-19-10-9-16(23)12-18(19)25-20(29)14-31-22-27-26-21(15-6-5-11-24-13-15)28(22)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,25,29)
InChIKey HAPLNSCTMKLFDZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7883
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: D48981; Labnumber: MOR-8652; SBI_ID: SBI-007886
Temperature 308 °C