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

SpectraBase Compound ID	DSdJcLerqCf
InChI	InChI=1S/C20H19Cl2N5OS/c1-2-11-27-18(12-23-15-9-7-14(21)8-10-15)25-26-20(27)29-13-19(28)24-17-6-4-3-5-16(17)22/h2-10,23H,1,11-13H2,(H,24,28)
InChIKey	FOJWDYCGLLYXFJ-UHFFFAOYSA-N Google Search
Mol Weight	448.37 g/mol
Molecular Formula	C20H19Cl2N5OS
Exact Mass	447.068737 g/mol

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SpectraBase Spectrum ID	JJDx8IJLu3y
Name	2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-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/C20H19Cl2N5OS/c1-2-11-27-18(12-23-15-9-7-14(21)8-10-15)25-26-20(27)29-13-19(28)24-17-6-4-3-5-16(17)22/h2-10,23H,1,11-13H2,(H,24,28)
InChIKey	FOJWDYCGLLYXFJ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3677
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/8102302; UBI_ID: UBI-003678
Temperature	308 °C