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N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DwtguosP9D3
InChI InChI=1S/C30H33N5O4S/c1-19(36)31-22-11-16-26(39-6)25(17-22)32-27(37)18-40-29-34-33-28(20-7-9-21(10-8-20)30(2,3)4)35(29)23-12-14-24(38-5)15-13-23/h7-17H,18H2,1-6H3,(H,31,36)(H,32,37)
InChIKey RLBDWVQRZMBIFF-UHFFFAOYSA-N
Mol Weight 559.7 g/mol
Molecular Formula C30H33N5O4S
Exact Mass 559.225326 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KirseTZiChS
Name N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C30H33N5O4S/c1-19(36)31-22-11-16-26(39-6)25(17-22)32-27(37)18-40-29-34-33-28(20-7-9-21(10-8-20)30(2,3)4)35(29)23-12-14-24(38-5)15-13-23/h7-17H,18H2,1-6H3,(H,31,36)(H,32,37)
InChIKey RLBDWVQRZMBIFF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17406
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: D25585; Labnumber: GRES-04669; SBI_ID: SBI-017409
Temperature 308 °C