For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

benzamide, N-[[4-(4-fluorophenyl)-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]-

View entire compound with spectra: 2 NMR

benzamide, N-[[4-(4-fluorophenyl)-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]-
SpectraBase Compound ID 1CvHc0NnAX2
InChI InChI=1S/C31H24F2N6O2S2/c32-22-10-8-20(9-11-22)26-17-25(27-7-4-16-42-27)37-39(26)29(40)19-43-31-36-35-28(38(31)24-14-12-23(33)13-15-24)18-34-30(41)21-5-2-1-3-6-21/h1-16,26H,17-19H2,(H,34,41)
InChIKey UVEIAAQBBJOQQT-UHFFFAOYSA-N
Mol Weight 614.69 g/mol
Molecular Formula C31H24F2N6O2S2
Exact Mass 614.137023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 20WMijAhH1b
Name Benzamide, N-[[4-(4-fluorophenyl)-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]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.137022709 u
Formula C31H24F2N6O2S2
InChI InChI=1S/C31H24F2N6O2S2/c32-22-10-8-20(9-11-22)26-17-25(27-7-4-16-42-27)37-39(26)29(40)19-43-31-36-35-28(38(31)24-14-12-23(33)13-15-24)18-34-30(41)21-5-2-1-3-6-21/h1-16,26H,17-19H2,(H,34,41)
InChIKey UVEIAAQBBJOQQT-UHFFFAOYSA-N
Molecular Weight 614.690 g/mol
SMILES N(C(=O)C=1C=CC=CC1)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C=1C=CC(=CC1)F