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4-ethyl-3-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole
SpectraBase Compound ID 7FvCQfcIPYX
InChI InChI=1S/C22H22N4S3/c1-2-26-20(18-14-27-19-11-7-6-10-17(18)19)24-25-22(26)29-13-16-12-28-21(23-16)15-8-4-3-5-9-15/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3
InChIKey ADFVLVTWQFTWAV-UHFFFAOYSA-N
Mol Weight 438.63 g/mol
Molecular Formula C22H22N4S3
Exact Mass 438.10066 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EW0ONIqtKgM
Name 4-ethyl-3-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole
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/C22H22N4S3/c1-2-26-20(18-14-27-19-11-7-6-10-17(18)19)24-25-22(26)29-13-16-12-28-21(23-16)15-8-4-3-5-9-15/h3-5,8-9,12,14H,2,6-7,10-11,13H2,1H3
InChIKey ADFVLVTWQFTWAV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7035
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/1265681; Labnumber: COL4047; UZI_ID: UZI-007037
Synonyms 4-ethyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl (2-phenyl-1,3-thiazol-4-yl)methyl sulfide
Temperature 318 °C