2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

SpectraBase Compound ID	3LJHdonhrDu
InChI	InChI=1S/C25H23N7OS/c1-17-9-8-10-18(2)24(17)26-23(33)16-34-25-29-28-22(32(25)19-11-4-3-5-12-19)15-31-21-14-7-6-13-20(21)27-30-31/h3-14H,15-16H2,1-2H3,(H,26,33)
InChIKey	SIDWRDKQEMRPIS-UHFFFAOYSA-N Google Search
Mol Weight	469.57 g/mol
Molecular Formula	C25H23N7OS
Exact Mass	469.16848 g/mol

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SpectraBase Spectrum ID	HHqNke4AoGP
Name	2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)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/C25H23N7OS/c1-17-9-8-10-18(2)24(17)26-23(33)16-34-25-29-28-22(32(25)19-11-4-3-5-12-19)15-31-21-14-7-6-13-20(21)27-30-31/h3-14H,15-16H2,1-2H3,(H,26,33)
InChIKey	SIDWRDKQEMRPIS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6683
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: NMR/11261904; Labnumber: 1481; IOH_ID: IOH-006684