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

View entire compound with spectra: 2 NMR

2-thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8RrLSFN3vk5
InChI InChI=1S/C35H34N6O5S2/c1-22-8-5-9-24(18-22)40-31(20-36-34(43)30-12-7-17-47-30)37-38-35(40)48-21-32(42)41-28(26-10-6-11-29(45-3)33(26)46-4)19-27(39-41)23-13-15-25(44-2)16-14-23/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey SBYBKAGJEZUHCM-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C35H34N6O5S2
Exact Mass 682.203211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a5HC5mAyvn
Name 2-Thiophenecarboxamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 682.203210562 u
Formula C35H34N6O5S2
InChI InChI=1S/C35H34N6O5S2/c1-22-8-5-9-24(18-22)40-31(20-36-34(43)30-12-7-17-47-30)37-38-35(40)48-21-32(42)41-28(26-10-6-11-29(45-3)33(26)46-4)19-27(39-41)23-13-15-25(44-2)16-14-23/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey SBYBKAGJEZUHCM-UHFFFAOYSA-N
Molecular Weight 682.814 g/mol
SMILES N(C(C=1SC=CC1)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)OC)CC2C2=C(C(OC)=CC=C2)OC)=O)=NN1)C1=CC(C)=CC=C1