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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-pyridinyl)acetamide
SpectraBase Compound ID BhVFUBTXImX
InChI InChI=1S/C19H20N6OS/c1-2-12-25-17(13-21-15-8-4-3-5-9-15)23-24-19(25)27-14-18(26)22-16-10-6-7-11-20-16/h2-11,21H,1,12-14H2,(H,20,22,26)
InChIKey JBZKZUHEJOGBKG-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C19H20N6OS
Exact Mass 380.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4clINTjKv7R
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-pyridinyl)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/C19H20N6OS/c1-2-12-25-17(13-21-15-8-4-3-5-9-15)23-24-19(25)27-14-18(26)22-16-10-6-7-11-20-16/h2-11,21H,1,12-14H2,(H,20,22,26)
InChIKey JBZKZUHEJOGBKG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3332
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/8089693; UBI_ID: UBI-003333
Temperature 308 °C