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

SpectraBase Compound ID	50FlpAwIIyE
InChI	InChI=1S/C16H14N4OS/c1-20-15(13-9-5-6-10-17-13)18-19-16(20)22-11-14(21)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey	RWGXJALDQUJHMR-UHFFFAOYSA-N Google Search
Mol Weight	310.38 g/mol
Molecular Formula	C16H14N4OS
Exact Mass	310.088832 g/mol

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SpectraBase Spectrum ID	3U18YkdA9kS
Name	2-{[4-methyl-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/C16H14N4OS/c1-20-15(13-9-5-6-10-17-13)18-19-16(20)22-11-14(21)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey	RWGXJALDQUJHMR-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_12439
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: D74554; Labnumber: GRESKO-2440; SBI_ID: SBI-012442
Temperature	318 °C