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4-(4-ethyl-5-{[2-(1-piperidinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
SpectraBase Compound ID 983ST5v8Iiu
InChI InChI=1S/C26H29N5S/c1-2-31-25(28-29-26(31)32-18-17-30-15-9-4-10-16-30)22-19-24(20-11-5-3-6-12-20)27-23-14-8-7-13-21(22)23/h3,5-8,11-14,19H,2,4,9-10,15-18H2,1H3
InChIKey YZCXOCKSWJJONY-UHFFFAOYSA-N
Mol Weight 443.61 g/mol
Molecular Formula C26H29N5S
Exact Mass 443.214367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6b1bFhRA8gb
Name 4-(4-ethyl-5-{[2-(1-piperidinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
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/C26H29N5S/c1-2-31-25(28-29-26(31)32-18-17-30-15-9-4-10-16-30)22-19-24(20-11-5-3-6-12-20)27-23-14-8-7-13-21(22)23/h3,5-8,11-14,19H,2,4,9-10,15-18H2,1H3
InChIKey YZCXOCKSWJJONY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6801
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/1269037; Labnumber: COL3493; UZI_ID: UZI-006803
Synonyms 4-ethyl-5-(2-phenyl-4-quinolinyl)-4H-1,2,4-triazol-3-yl 2-(1-piperidinyl)ethyl sulfide
Temperature 318 °C