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benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID Hen8aJHYZfd
InChI InChI=1S/C36H36N6O5S2/c1-22-8-9-23(2)30(15-22)41-33(20-37-35(44)25-16-27(46-4)18-28(17-25)47-5)38-39-36(41)49-21-34(43)42-31(24-10-12-26(45-3)13-11-24)19-29(40-42)32-7-6-14-48-32/h6-18,31H,19-21H2,1-5H3,(H,37,44)
InChIKey OGHPUJHDKFUMLZ-UHFFFAOYSA-N
Mol Weight 696.8 g/mol
Molecular Formula C36H36N6O5S2
Exact Mass 696.218861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2u15GAD2dIP
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 696.218860626 u
Formula C36H36N6O5S2
InChI InChI=1S/C36H36N6O5S2/c1-22-8-9-23(2)30(15-22)41-33(20-37-35(44)25-16-27(46-4)18-28(17-25)47-5)38-39-36(41)49-21-34(43)42-31(24-10-12-26(45-3)13-11-24)19-29(40-42)32-7-6-14-48-32/h6-18,31H,19-21H2,1-5H3,(H,37,44)
InChIKey OGHPUJHDKFUMLZ-UHFFFAOYSA-N
Molecular Weight 696.841 g/mol
SMILES N(C(C=1C=C(OC)C=C(C1)OC)=O)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)OC)=O)C1=C(C=CC(=C1)C)C