3-[(2,4-dichlorobenzyl)sulfanyl]-5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazole

SpectraBase Compound ID	KsBTnuVZ8b0
InChI	InChI=1S/C22H17Cl2N3S/c1-15-7-9-16(10-8-15)21-25-26-22(27(21)19-5-3-2-4-6-19)28-14-17-11-12-18(23)13-20(17)24/h2-13H,14H2,1H3
InChIKey	NTXOZLJXNJHCCW-UHFFFAOYSA-N Google Search
Mol Weight	426.37 g/mol
Molecular Formula	C22H17Cl2N3S
Exact Mass	425.052024 g/mol

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SpectraBase Spectrum ID	K1ReDmox0KZ
Name	3-[(2,4-dichlorobenzyl)sulfanyl]-5-(4-methylphenyl)-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/C22H17Cl2N3S/c1-15-7-9-16(10-8-15)21-25-26-22(27(21)19-5-3-2-4-6-19)28-14-17-11-12-18(23)13-20(17)24/h2-13H,14H2,1H3
InChIKey	NTXOZLJXNJHCCW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4870
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: E08286; Labnumber: GRES-36877; SBI_ID: SBI-004872
Synonyms	2,4-dichlorobenzyl 5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide
Temperature	315 °C