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benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
SpectraBase Compound ID 63fr0rLDKww
InChI InChI=1S/C33H29FN6O4S2/c1-43-27-14-7-13-24(31(27)44-2)26-18-25(28-15-8-16-45-28)38-40(26)30(41)20-46-33-37-36-29(39(33)23-11-4-3-5-12-23)19-35-32(42)21-9-6-10-22(34)17-21/h3-17,26H,18-20H2,1-2H3,(H,35,42)
InChIKey MJQBIGBLAHHXLM-UHFFFAOYSA-N
Mol Weight 656.8 g/mol
Molecular Formula C33H29FN6O4S2
Exact Mass 656.167574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqFgA2WIhqV
Name Benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-3-fluoro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 656.167573945 u
Formula C33H29FN6O4S2
InChI InChI=1S/C33H29FN6O4S2/c1-43-27-14-7-13-24(31(27)44-2)26-18-25(28-15-8-16-45-28)38-40(26)30(41)20-46-33-37-36-29(39(33)23-11-4-3-5-12-23)19-35-32(42)21-9-6-10-22(34)17-21/h3-17,26H,18-20H2,1-2H3,(H,35,42)
InChIKey MJQBIGBLAHHXLM-UHFFFAOYSA-N
Molecular Weight 656.751 g/mol
SMILES N(C(C1=CC(F)=CC=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=C(C(OC)=CC=C2)OC)=O)=NN1)C1=CC=CC=C1