ethanone, 2-[[4-cyclopropyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-1-phenyl-

SpectraBase Compound ID	Bms13OmJ2qA
InChI	InChI=1S/C18H16N4OS/c23-16(13-4-2-1-3-5-13)12-24-18-21-20-17(22(18)15-6-7-15)14-8-10-19-11-9-14/h1-5,8-11,15H,6-7,12H2
InChIKey	XLKKGJLAKOMLJY-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	BOy8yAA1aid
Name	ethanone, 2-[[4-cyclopropyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-1-phenyl-
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/c23-16(13-4-2-1-3-5-13)12-24-18-21-20-17(22(18)15-6-7-15)14-8-10-19-11-9-14/h1-5,8-11,15H,6-7,12H2
InChIKey	XLKKGJLAKOMLJY-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_10179
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: F36779; Labnumber: YAKV-40986