2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide

SpectraBase Compound ID	3APD6XHG3ai
InChI	InChI=1S/C21H20ClN5O3S/c1-2-26-20(18-11-17(18)13-3-5-14(22)6-4-13)24-25-21(26)31-12-19(28)23-15-7-9-16(10-8-15)27(29)30/h3-10,17-18H,2,11-12H2,1H3,(H,23,28)
InChIKey	DSEUHMJJNUCEEO-UHFFFAOYSA-N Google Search
Mol Weight	457.94 g/mol
Molecular Formula	C21H20ClN5O3S
Exact Mass	457.097538 g/mol

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SpectraBase Spectrum ID	KBtFZ0vKFZC
Name	2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)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/C21H20ClN5O3S/c1-2-26-20(18-11-17(18)13-3-5-14(22)6-4-13)24-25-21(26)31-12-19(28)23-15-7-9-16(10-8-15)27(29)30/h3-10,17-18H,2,11-12H2,1H3,(H,23,28)
InChIKey	DSEUHMJJNUCEEO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_6834
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/1266505; Labnumber: COL3566; UZI_ID: UZI-006836
Temperature	318 °C