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2-thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-

View entire compound with spectra: 1 NMR

2-thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 5BUz9MCdjDT
InChI InChI=1S/C31H28N6O2S3/c1-21-11-13-23(14-12-21)25-17-24(26-9-5-15-40-26)35-37(25)29(38)20-42-31-34-33-28(18-32-30(39)27-10-6-16-41-27)36(31)19-22-7-3-2-4-8-22/h2-16,25H,17-20H2,1H3,(H,32,39)
InChIKey KZOPDDYPGXDKKT-UHFFFAOYSA-N
Mol Weight 612.79 g/mol
Molecular Formula C31H28N6O2S3
Exact Mass 612.143588 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BlQrHiik56E
Name 2-thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-
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/C31H28N6O2S3/c1-21-11-13-23(14-12-21)25-17-24(26-9-5-15-40-26)35-37(25)29(38)20-42-31-34-33-28(18-32-30(39)27-10-6-16-41-27)36(31)19-22-7-3-2-4-8-22/h2-16,25H,17-20H2,1H3,(H,32,39)
InChIKey KZOPDDYPGXDKKT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5565
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: NMR/10257262; Labnumber: F0514-4851