N-(4-iodophenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	Hlmf28kLo52
InChI	InChI=1S/C21H16IN5OS/c22-16-8-10-17(11-9-16)24-19(28)14-29-21-26-25-20(15-5-4-12-23-13-15)27(21)18-6-2-1-3-7-18/h1-13H,14H2,(H,24,28)
InChIKey	LYHIYOCPBLAYTP-UHFFFAOYSA-N Google Search
Mol Weight	513.36 g/mol
Molecular Formula	C21H16IN5OS
Exact Mass	513.012026 g/mol

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SpectraBase Spectrum ID	EpZXLOEnzPI
Name	N-(4-iodophenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C21H16IN5OS/c22-16-8-10-17(11-9-16)24-19(28)14-29-21-26-25-20(15-5-4-12-23-13-15)27(21)18-6-2-1-3-7-18/h1-13H,14H2,(H,24,28)
InChIKey	LYHIYOCPBLAYTP-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27354
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: D76271; Labnumber: MOR-8593; SBI_ID: SBI-027358
Temperature	315 °C