2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide

SpectraBase Compound ID	DxKU2blfImf
InChI	InChI=1S/C20H18Cl2N4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-16(21)17(22)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey	KPEKPZKTIHVXRU-UHFFFAOYSA-N Google Search
Mol Weight	449.36 g/mol
Molecular Formula	C20H18Cl2N4O2S
Exact Mass	448.052752 g/mol

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SpectraBase Spectrum ID	1OAC7NOnrCF
Name	2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
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/C20H18Cl2N4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-16(21)17(22)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey	KPEKPZKTIHVXRU-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4893
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: E08324; Labnumber: GRES-36923; SBI_ID: SBI-004895
Temperature	318 °C