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

View entire compound with spectra: 2 NMR

2-thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID qeUDg8uIXO
InChI InChI=1S/C28H28N6O3S2/c1-18-6-8-20(9-7-18)23-15-22(19-10-12-21(37-3)13-11-19)32-34(23)26(35)17-39-28-31-30-25(33(28)2)16-29-27(36)24-5-4-14-38-24/h4-14,23H,15-17H2,1-3H3,(H,29,36)
InChIKey OGDPUDRVSRDAPI-UHFFFAOYSA-N
Mol Weight 560.69 g/mol
Molecular Formula C28H28N6O3S2
Exact Mass 560.166431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InOdEbBr7Xs
Name 2-Thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-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 560.166431131 u
Formula C28H28N6O3S2
InChI InChI=1S/C28H28N6O3S2/c1-18-6-8-20(9-7-18)23-15-22(19-10-12-21(37-3)13-11-19)32-34(23)26(35)17-39-28-31-30-25(33(28)2)16-29-27(36)24-5-4-14-38-24/h4-14,23H,15-17H2,1-3H3,(H,29,36)
InChIKey OGDPUDRVSRDAPI-UHFFFAOYSA-N
Molecular Weight 560.691 g/mol
SMILES N(C(C=1SC=CC1)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)OC)CC2C2=CC=C(C=C2)C)=O)=NN1)C