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

SpectraBase Compound ID	2EHi974luPv
InChI	InChI=1S/C20H18Cl2N4O2S/c1-2-11-26-18(12-28-17-9-5-15(22)6-10-17)24-25-20(26)29-13-19(27)23-16-7-3-14(21)4-8-16/h2-10H,1,11-13H2,(H,23,27)
InChIKey	PDTKTDYWDNIFTD-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	DfhxugnmhDk
Name	2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)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/c1-2-11-26-18(12-28-17-9-5-15(22)6-10-17)24-25-20(26)29-13-19(27)23-16-7-3-14(21)4-8-16/h2-10H,1,11-13H2,(H,23,27)
InChIKey	PDTKTDYWDNIFTD-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7069
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: UZI/8190320; UBI_ID: UBI-007072
Temperature	308 °C