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benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-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-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID L6STNcYPeMR
InChI InChI=1S/C36H36N6O5S2/c1-5-47-27-14-12-26(13-15-27)41-33(21-37-35(44)25-17-28(45-3)19-29(18-25)46-4)38-39-36(41)49-22-34(43)42-31(24-10-8-23(2)9-11-24)20-30(40-42)32-7-6-16-48-32/h6-19,31H,5,20-22H2,1-4H3,(H,37,44)
InChIKey XRGILEZUTYZLSS-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 GiBZOzD18nr
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-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/c1-5-47-27-14-12-26(13-15-27)41-33(21-37-35(44)25-17-28(45-3)19-29(18-25)46-4)38-39-36(41)49-22-34(43)42-31(24-10-8-23(2)9-11-24)20-30(40-42)32-7-6-16-48-32/h6-19,31H,5,20-22H2,1-4H3,(H,37,44)
InChIKey XRGILEZUTYZLSS-UHFFFAOYSA-N
Molecular Weight 696.841 g/mol
SMILES N(C(C=1C=C(OC)C=C(C1)OC)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)C)=O)=NN1)C=1C=CC(=CC1)OCC