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acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
SpectraBase Compound ID 3Z40I7ezJQZ
InChI InChI=1S/C23H21N5OS2/c1-14-11-20-26-27-23(28(20)18-9-6-5-7-15(14)18)30-13-21(29)25-22-17(12-24)16-8-3-2-4-10-19(16)31-22/h5-7,9,11H,2-4,8,10,13H2,1H3,(H,25,29)
InChIKey ISUOZFJEVVUDDI-UHFFFAOYSA-N
Mol Weight 447.58 g/mol
Molecular Formula C23H21N5OS2
Exact Mass 447.118753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsyaliqgvV2
Name acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H21N5OS2/c1-14-11-20-26-27-23(28(20)18-9-6-5-7-15(14)18)30-13-21(29)25-22-17(12-24)16-8-3-2-4-10-19(16)31-22/h5-7,9,11H,2-4,8,10,13H2,1H3,(H,25,29)
InChIKey ISUOZFJEVVUDDI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_902
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: NMR/11228604