2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

SpectraBase Compound ID	EhoVFZnRNPg
InChI	InChI=1S/C18H16N4OS/c1-2-12-22-17(15-10-6-7-11-19-15)20-21-18(22)24-13-16(23)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey	JUBSGUHGVZGBQI-UHFFFAOYSA-N Google Search
Mol Weight	336.41 g/mol
Molecular Formula	C18H16N4OS
Exact Mass	336.104482 g/mol

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SpectraBase Spectrum ID	FWkpSiEufGQ
Name	2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
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/C18H16N4OS/c1-2-12-22-17(15-10-6-7-11-19-15)20-21-18(22)24-13-16(23)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey	JUBSGUHGVZGBQI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_12395
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: D74438; Labnumber: GRESKO-1120; SBI_ID: SBI-012398
Temperature	318 °C