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2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SpectraBase Compound ID LUYUbP9HOp9
InChI InChI=1S/C28H25N5O2S2/c1-4-15-33-26(21-7-5-6-8-23(21)35-3)31-32-28(33)36-17-25(34)29-20-12-10-19(11-13-20)27-30-22-14-9-18(2)16-24(22)37-27/h4-14,16H,1,15,17H2,2-3H3,(H,29,34)
InChIKey RRVNJHUAYAWVAD-UHFFFAOYSA-N
Mol Weight 527.66 g/mol
Molecular Formula C28H25N5O2S2
Exact Mass 527.144967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dr3cD4jZj1u
Name 2-{[4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
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/C28H25N5O2S2/c1-4-15-33-26(21-7-5-6-8-23(21)35-3)31-32-28(33)36-17-25(34)29-20-12-10-19(11-13-20)27-30-22-14-9-18(2)16-24(22)37-27/h4-14,16H,1,15,17H2,2-3H3,(H,29,34)
InChIKey RRVNJHUAYAWVAD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11460
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: E06361; Labnumber: GRES-21328; SBI_ID: SBI-011463
Temperature 308 °C