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2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 6kbYjfVpFiK
InChI InChI=1S/C22H20ClN3S2/c1-13-14(12-27-16-8-6-15(23)7-9-16)10-20(28-13)21-17-4-2-3-5-19(17)26-22(25)18(21)11-24/h6-10H,2-5,12H2,1H3,(H2,25,26)
InChIKey ZLCUXMIHXDCJTB-UHFFFAOYSA-N
Mol Weight 426.0 g/mol
Molecular Formula C22H20ClN3S2
Exact Mass 425.078718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5sw1bQhyPM9
Name 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C22H20ClN3S2/c1-13-14(12-27-16-8-6-15(23)7-9-16)10-20(28-13)21-17-4-2-3-5-19(17)26-22(25)18(21)11-24/h6-10H,2-5,12H2,1H3,(H2,25,26)
InChIKey ZLCUXMIHXDCJTB-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14510
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: UZI/1018308; UBI_ID: UBI-014513
Temperature 300 °C