ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(4-morpholinylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-

SpectraBase Compound ID	4HKYV6vK5bH
InChI	InChI=1S/C23H29N5O2S/c1-4-27-17(2)14-20(18(27)3)21(29)16-31-23-25-24-22(15-26-10-12-30-13-11-26)28(23)19-8-6-5-7-9-19/h5-9,14H,4,10-13,15-16H2,1-3H3
InChIKey	CCNRTEYFUKEPMD-UHFFFAOYSA-N Google Search
Mol Weight	439.58 g/mol
Molecular Formula	C23H29N5O2S
Exact Mass	439.204196 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GbR6IGiYLS6
Name	ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(4-morpholinylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
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/C23H29N5O2S/c1-4-27-17(2)14-20(18(27)3)21(29)16-31-23-25-24-22(15-26-10-12-30-13-11-26)28(23)19-8-6-5-7-9-19/h5-9,14H,4,10-13,15-16H2,1-3H3
InChIKey	CCNRTEYFUKEPMD-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_6377
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: F28416; Labnumber: ALEKS1-28724