N-(1,3-benzodioxol-5-yl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	57sHIZv5ZQK
InChI	InChI=1S/C23H17ClN4O3S/c24-18-9-5-4-8-17(18)22-26-27-23(28(22)16-6-2-1-3-7-16)32-13-21(29)25-15-10-11-19-20(12-15)31-14-30-19/h1-12H,13-14H2,(H,25,29)
InChIKey	PQEZXKHSPKOKNL-UHFFFAOYSA-N Google Search
Mol Weight	464.93 g/mol
Molecular Formula	C23H17ClN4O3S
Exact Mass	464.070989 g/mol

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SpectraBase Spectrum ID	6WLk2oTCCQ0
Name	N-(1,3-benzodioxol-5-yl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C23H17ClN4O3S/c24-18-9-5-4-8-17(18)22-26-27-23(28(22)16-6-2-1-3-7-16)32-13-21(29)25-15-10-11-19-20(12-15)31-14-30-19/h1-12H,13-14H2,(H,25,29)
InChIKey	PQEZXKHSPKOKNL-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14290
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: D98083; Labnumber: GRES-15494; SBI_ID: SBI-014293
Temperature	308 °C