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acetamide, 2-[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)-
SpectraBase Compound ID DooibpU8gaW
InChI InChI=1S/C22H20N6O2S/c1-14-12-19(27-30-14)24-20(29)13-31-22-26-25-21(16-8-10-23-11-9-16)28(22)18-7-6-15-4-2-3-5-17(15)18/h2-5,8-12,18H,6-7,13H2,1H3,(H,24,27,29)
InChIKey BWJDYCGTQQFUID-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C22H20N6O2S
Exact Mass 432.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6lvEcIucnuy
Name acetamide, 2-[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)-
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/C22H20N6O2S/c1-14-12-19(27-30-14)24-20(29)13-31-22-26-25-21(16-8-10-23-11-9-16)28(22)18-7-6-15-4-2-3-5-17(15)18/h2-5,8-12,18H,6-7,13H2,1H3,(H,24,27,29)
InChIKey BWJDYCGTQQFUID-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1804
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: F13031; Labnumber: NNOBK-9123