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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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID 92uqa5WO33S
InChI InChI=1S/C35H34N6O5S2/c1-22-11-13-23(14-12-22)29-19-27(31-10-7-15-47-31)39-41(29)33(42)21-48-35-38-37-32(40(35)28-8-5-6-9-30(28)46-4)20-36-34(43)24-16-25(44-2)18-26(17-24)45-3/h5-18,29H,19-21H2,1-4H3,(H,36,43)
InChIKey AEFGGJWRYGXOAY-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C35H34N6O5S2
Exact Mass 682.203211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Hp3dWmyCgT
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-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 682.203210562 u
Formula C35H34N6O5S2
InChI InChI=1S/C35H34N6O5S2/c1-22-11-13-23(14-12-22)29-19-27(31-10-7-15-47-31)39-41(29)33(42)21-48-35-38-37-32(40(35)28-8-5-6-9-30(28)46-4)20-36-34(43)24-16-25(44-2)18-26(17-24)45-3/h5-18,29H,19-21H2,1-4H3,(H,36,43)
InChIKey AEFGGJWRYGXOAY-UHFFFAOYSA-N
Molecular Weight 682.814 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)C)=O)C1=C(OC)C=CC=C1