3-(2-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole

SpectraBase Compound ID	3A7myt1HI2X
InChI	InChI=1S/C21H15ClN4O2S/c22-19-9-5-4-8-18(19)20-23-24-21(25(20)16-6-2-1-3-7-16)29-14-15-10-12-17(13-11-15)26(27)28/h1-13H,14H2
InChIKey	QWNKGADCXAVOCN-UHFFFAOYSA-N Google Search
Mol Weight	422.89 g/mol
Molecular Formula	C21H15ClN4O2S
Exact Mass	422.060425 g/mol

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SpectraBase Spectrum ID	Akqg438GsQj
Name	3-(2-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
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/C21H15ClN4O2S/c22-19-9-5-4-8-18(19)20-23-24-21(25(20)16-6-2-1-3-7-16)29-14-15-10-12-17(13-11-15)26(27)28/h1-13H,14H2
InChIKey	QWNKGADCXAVOCN-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14565
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: D98704; Labnumber: GRES-25258; SBI_ID: SBI-014568
Synonyms	5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature	318 °C