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

View entire compound with spectra: 2 NMR

benzamide, N-[[4-(4-ethoxyphenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID DXVKLVv6wQx
InChI InChI=1S/C35H33FN6O5S2/c1-4-47-26-13-11-25(12-14-26)41-32(20-37-34(44)23-16-27(45-2)18-28(17-23)46-3)38-39-35(41)49-21-33(43)42-30(22-7-9-24(36)10-8-22)19-29(40-42)31-6-5-15-48-31/h5-18,30H,4,19-21H2,1-3H3,(H,37,44)
InChIKey QKPVIQMQQSUZLZ-UHFFFAOYSA-N
Mol Weight 700.8 g/mol
Molecular Formula C35H33FN6O5S2
Exact Mass 700.193789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3UDC6fs1KFr
Name Benzamide, N-[[4-(4-ethoxyphenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-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 700.193788693 u
Formula C35H33FN6O5S2
InChI InChI=1S/C35H33FN6O5S2/c1-4-47-26-13-11-25(12-14-26)41-32(20-37-34(44)23-16-27(45-2)18-28(17-23)46-3)38-39-35(41)49-21-33(43)42-30(22-7-9-24(36)10-8-22)19-29(40-42)31-6-5-15-48-31/h5-18,30H,4,19-21H2,1-3H3,(H,37,44)
InChIKey QKPVIQMQQSUZLZ-UHFFFAOYSA-N
Molecular Weight 700.804 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)F)=O)=NN1)C=1C=CC(=CC1)OCC