N-[(5-{[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide

SpectraBase Compound ID	4wMeUogRFTU
InChI	InChI=1S/C21H22ClN5O2S/c1-13-5-4-6-15(9-13)20(29)23-11-18-25-26-21(27(18)3)30-12-19(28)24-17-8-7-16(22)10-14(17)2/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)
InChIKey	FGRZDHQFZQGZBH-UHFFFAOYSA-N Google Search
Mol Weight	443.95 g/mol
Molecular Formula	C21H22ClN5O2S
Exact Mass	443.118274 g/mol

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SpectraBase Spectrum ID	DUQepymVpDA
Name	N-[(5-{[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-methylbenzamide
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/C21H22ClN5O2S/c1-13-5-4-6-15(9-13)20(29)23-11-18-25-26-21(27(18)3)30-12-19(28)24-17-8-7-16(22)10-14(17)2/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)
InChIKey	FGRZDHQFZQGZBH-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7285
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: D29027; Labnumber: SPABU-2684; SBI_ID: SBI-007288
Temperature	306 °C