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

View entire compound with spectra: 1 NMR

2-thiophenecarboxamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID K3fySLCL0gw
InChI InChI=1S/C27H25BrN6O3S2/c1-33-24(15-29-26(36)23-4-3-13-38-23)30-31-27(33)39-16-25(35)34-22(18-7-11-20(37-2)12-8-18)14-21(32-34)17-5-9-19(28)10-6-17/h3-13,22H,14-16H2,1-2H3,(H,29,36)
InChIKey BHAFWUSFHDBJBF-UHFFFAOYSA-N
Mol Weight 625.56 g/mol
Molecular Formula C27H25BrN6O3S2
Exact Mass 624.061294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FW7bo8bX3cE
Name 2-thiophenecarboxamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-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/C27H25BrN6O3S2/c1-33-24(15-29-26(36)23-4-3-13-38-23)30-31-27(33)39-16-25(35)34-22(18-7-11-20(37-2)12-8-18)14-21(32-34)17-5-9-19(28)10-6-17/h3-13,22H,14-16H2,1-2H3,(H,29,36)
InChIKey BHAFWUSFHDBJBF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5561
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/10257255; Labnumber: F0514-4749