methyl 4-[({[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

SpectraBase Compound ID	2IsKNphaJQy
InChI	InChI=1S/C21H19ClN4O3S/c1-3-11-26-19(15-5-4-6-16(22)12-15)24-25-21(26)30-13-18(27)23-17-9-7-14(8-10-17)20(28)29-2/h3-10,12H,1,11,13H2,2H3,(H,23,27)
InChIKey	XXSZLEUXKDWZOH-UHFFFAOYSA-N Google Search
Mol Weight	442.92 g/mol
Molecular Formula	C21H19ClN4O3S
Exact Mass	442.086639 g/mol

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SpectraBase Spectrum ID	Ib3va5zg7FT
Name	methyl 4-[({[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C21H19ClN4O3S/c1-3-11-26-19(15-5-4-6-16(22)12-15)24-25-21(26)30-13-18(27)23-17-9-7-14(8-10-17)20(28)29-2/h3-10,12H,1,11,13H2,2H3,(H,23,27)
InChIKey	XXSZLEUXKDWZOH-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11415
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: E06948; Labnumber: GRES-32332; SBI_ID: SBI-011418
Temperature	318 °C