1-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine

SpectraBase Compound ID	DWuQ9kJAeoe
InChI	InChI=1S/C21H21ClN4OS/c22-17-11-9-16(10-12-17)20-23-24-21(26(20)18-7-3-1-4-8-18)28-15-19(27)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-15H2
InChIKey	RQTRQAQRWSZLTO-UHFFFAOYSA-N Google Search
Mol Weight	412.94 g/mol
Molecular Formula	C21H21ClN4OS
Exact Mass	412.11246 g/mol

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SpectraBase Spectrum ID	KqAGmckPQVn
Name	1-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine
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/C21H21ClN4OS/c22-17-11-9-16(10-12-17)20-23-24-21(26(20)18-7-3-1-4-8-18)28-15-19(27)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-15H2
InChIKey	RQTRQAQRWSZLTO-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_4462
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/8325444; Labnumber: LP-2181138; IOH_ID: IOH-004463
Synonyms	5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
Temperature	303 °C