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benzamide, N-[[5-[[2-[4,5-dihydro-3,5-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-3,5-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID 6vYK8ZFV032
InChI InChI=1S/C36H34N6O5S/c1-45-27-17-13-24(14-18-27)30-21-31(25-15-19-28(46-2)20-16-25)42(40-30)34(43)23-48-36-39-38-33(41(36)26-9-5-4-6-10-26)22-37-35(44)29-11-7-8-12-32(29)47-3/h4-20,31H,21-23H2,1-3H3,(H,37,44)
InChIKey UAXGOGXDEPJUEQ-UHFFFAOYSA-N
Mol Weight 662.8 g/mol
Molecular Formula C36H34N6O5S
Exact Mass 662.231139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCCYTxGg6Lj
Name Benzamide, N-[[5-[[2-[4,5-dihydro-3,5-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 662.231139388 u
Formula C36H34N6O5S
InChI InChI=1S/C36H34N6O5S/c1-45-27-17-13-24(14-18-27)30-21-31(25-15-19-28(46-2)20-16-25)42(40-30)34(43)23-48-36-39-38-33(41(36)26-9-5-4-6-10-26)22-37-35(44)29-11-7-8-12-32(29)47-3/h4-20,31H,21-23H2,1-3H3,(H,37,44)
InChIKey UAXGOGXDEPJUEQ-UHFFFAOYSA-N
Molecular Weight 662.765 g/mol
SMILES N(C(C1=C(OC)C=CC=C1)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)OC)CC2C2=CC=C(C=C2)OC)=O)=NN1)C=1C=CC=CC1