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

SpectraBase Compound ID	AypQTMbq2LY
InChI	InChI=1S/C21H14Cl2N4O2S/c22-15-7-11-16(12-8-15)26-20(18-3-1-2-4-19(18)23)24-25-21(26)30-13-14-5-9-17(10-6-14)27(28)29/h1-12H,13H2
InChIKey	IPERNSZLVJNOIP-UHFFFAOYSA-N Google Search
Mol Weight	457.34 g/mol
Molecular Formula	C21H14Cl2N4O2S
Exact Mass	456.021452 g/mol

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SpectraBase Spectrum ID	1NO3SvYwnrF
Name	3-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[(4-nitrobenzyl)sulfanyl]-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/C21H14Cl2N4O2S/c22-15-7-11-16(12-8-15)26-20(18-3-1-2-4-19(18)23)24-25-21(26)30-13-14-5-9-17(10-6-14)27(28)29/h1-12H,13H2
InChIKey	IPERNSZLVJNOIP-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14344
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: D98229; Labnumber: GRES-17692; SBI_ID: SBI-014347
Synonyms	5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature	308 °C