SpectraBase Spectrum ID |
AXHFHJVjOYX |
Name |
2-{[4-allyl-5-(4-toluidinomethyl)-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/C20H22N6OS/c1-3-12-26-18(13-22-16-9-7-15(2)8-10-16)24-25-20(26)28-14-19(27)23-17-6-4-5-11-21-17/h3-11,22H,1,12-14H2,2H3,(H,21,23,27) |
InChIKey |
JLKMFBYYDRMUDW-UHFFFAOYSA-N |
NMR Offset |
14.9921 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_4310 |
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/8117136; UBI_ID: UBI-004311 |
Temperature |
308 °C |