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2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SpectraBase Compound ID 6A8Lo1VNqdd
InChI InChI=1S/C26H22N6OS2/c1-3-14-32-24(18-10-12-27-13-11-18)30-31-26(32)34-16-23(33)28-20-7-5-19(6-8-20)25-29-21-9-4-17(2)15-22(21)35-25/h3-13,15H,1,14,16H2,2H3,(H,28,33)
InChIKey ZLBHFZQVKBEODZ-UHFFFAOYSA-N
Mol Weight 498.62 g/mol
Molecular Formula C26H22N6OS2
Exact Mass 498.129652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AfD7thO7RZW
Name 2-{[4-allyl-5-(4-pyridinyl)-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/C26H22N6OS2/c1-3-14-32-24(18-10-12-27-13-11-18)30-31-26(32)34-16-23(33)28-20-7-5-19(6-8-20)25-29-21-9-4-17(2)15-22(21)35-25/h3-13,15H,1,14,16H2,2H3,(H,28,33)
InChIKey ZLBHFZQVKBEODZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12397
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: D74440; Labnumber: GRESKO-1267; SBI_ID: SBI-012400
Temperature 318 °C