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2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID IdMd5olZ0N9
InChI InChI=1S/C20H21N5OS/c1-3-12-25-19(16-6-5-11-21-13-16)23-24-20(25)27-14-18(26)22-17-9-7-15(4-2)8-10-17/h3,5-11,13H,1,4,12,14H2,2H3,(H,22,26)
InChIKey UTABZHZHTHEFEJ-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C20H21N5OS
Exact Mass 379.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQ8qMBUebSE
Name 2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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/C20H21N5OS/c1-3-12-25-19(16-6-5-11-21-13-16)23-24-20(25)27-14-18(26)22-17-9-7-15(4-2)8-10-17/h3,5-11,13H,1,4,12,14H2,2H3,(H,22,26)
InChIKey UTABZHZHTHEFEJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24876
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: D48637; Labnumber: VGU-0022743; SBI_ID: SBI-024880
Temperature 308 °C