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

View entire compound with spectra: 2 NMR

2-furancarboxamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 23OJmDlHLkK
InChI InChI=1S/C29H23FN6O3S2/c30-20-12-10-19(11-13-20)23-16-22(25-9-5-15-40-25)34-36(23)27(37)18-41-29-33-32-26(35(29)21-6-2-1-3-7-21)17-31-28(38)24-8-4-14-39-24/h1-15,23H,16-18H2,(H,31,38)
InChIKey GTWDGHHJSXDDMX-UHFFFAOYSA-N
Mol Weight 586.66 g/mol
Molecular Formula C29H23FN6O3S2
Exact Mass 586.125709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91aaIXwB0yM
Name 2-Furancarboxamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.125709133 u
Formula C29H23FN6O3S2
InChI InChI=1S/C29H23FN6O3S2/c30-20-12-10-19(11-13-20)23-16-22(25-9-5-15-40-25)34-36(23)27(37)18-41-29-33-32-26(35(29)21-6-2-1-3-7-21)17-31-28(38)24-8-4-14-39-24/h1-15,23H,16-18H2,(H,31,38)
InChIKey GTWDGHHJSXDDMX-UHFFFAOYSA-N
Molecular Weight 586.660 g/mol
SMILES N(C(C=1OC=CC1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C=1C=CC=CC1