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benzamide, 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]-3,5-dimethoxy-

View entire compound with spectra: 2 NMR

benzamide, 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]-3,5-dimethoxy-
SpectraBase Compound ID 31nVbJsHb3l
InChI InChI=1S/C32H34N6O5S/c1-20-6-8-22(9-7-20)28-17-27(21-10-12-24(41-3)13-11-21)36-38(28)30(39)19-44-32-35-34-29(37(32)2)18-33-31(40)23-14-25(42-4)16-26(15-23)43-5/h6-16,28H,17-19H2,1-5H3,(H,33,40)
InChIKey GMLJGRSRXAMYSZ-UHFFFAOYSA-N
Mol Weight 614.7 g/mol
Molecular Formula C32H34N6O5S
Exact Mass 614.231139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0TUEN801pH
Name Benzamide, 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]-3,5-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.231139388 u
Formula C32H34N6O5S
InChI InChI=1S/C32H34N6O5S/c1-20-6-8-22(9-7-20)28-17-27(21-10-12-24(41-3)13-11-21)36-38(28)30(39)19-44-32-35-34-29(37(32)2)18-33-31(40)23-14-25(42-4)16-26(15-23)43-5/h6-16,28H,17-19H2,1-5H3,(H,33,40)
InChIKey GMLJGRSRXAMYSZ-UHFFFAOYSA-N
Molecular Weight 614.721 g/mol
SMILES N(C(C=1C=C(OC)C=C(C1)OC)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)OC)CC2C2=CC=C(C=C2)C)=O)=NN1)C