benzoic acid, 4-[[[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-

SpectraBase Compound ID	2tsrdTBfioX
InChI	InChI=1S/C25H21N5O3S/c31-22(27-19-8-5-18(6-9-19)24(32)33)15-34-25-29-28-23(17-11-13-26-14-12-17)30(25)21-10-7-16-3-1-2-4-20(16)21/h1-6,8-9,11-14,21H,7,10,15H2,(H,27,31)(H,32,33)
InChIKey	OQHKZVDRHVQLDC-UHFFFAOYSA-N Google Search
Mol Weight	471.54 g/mol
Molecular Formula	C25H21N5O3S
Exact Mass	471.136511 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	2Hg2vgQWatW
Name	benzoic acid, 4-[[[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-
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/C25H21N5O3S/c31-22(27-19-8-5-18(6-9-19)24(32)33)15-34-25-29-28-23(17-11-13-26-14-12-17)30(25)21-10-7-16-3-1-2-4-20(16)21/h1-6,8-9,11-14,21H,7,10,15H2,(H,27,31)(H,32,33)
InChIKey	OQHKZVDRHVQLDC-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_1816
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: F13045; Labnumber: NNOBK-9153