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

SpectraBase Compound ID	2mSq76yLE4W
InChI	InChI=1S/C21H18ClN3OS/c1-15-8-10-16(11-9-15)14-27-21-24-23-20(18-6-2-3-7-19(18)22)25(21)13-17-5-4-12-26-17/h2-12H,13-14H2,1H3
InChIKey	DBBLZFHYGFKBRO-UHFFFAOYSA-N Google Search
Mol Weight	395.91 g/mol
Molecular Formula	C21H18ClN3OS
Exact Mass	395.085911 g/mol

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SpectraBase Spectrum ID	9V84guaRK2b
Name	3-(2-chlorophenyl)-4-(2-furylmethyl)-5-[(4-methylbenzyl)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/C21H18ClN3OS/c1-15-8-10-16(11-9-15)14-27-21-24-23-20(18-6-2-3-7-19(18)22)25(21)13-17-5-4-12-26-17/h2-12H,13-14H2,1H3
InChIKey	DBBLZFHYGFKBRO-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4835
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: E08219; Labnumber: GRES-36799; SBI_ID: SBI-004837
Synonyms	5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl 4-methylbenzyl sulfide
Temperature	315 °C