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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID 6QxmikO1xhY
InChI InChI=1S/C34H31FN6O4S2/c1-21-6-4-7-25(14-21)40-31(19-36-33(43)23-15-26(44-2)17-27(16-23)45-3)37-38-34(40)47-20-32(42)41-29(22-9-11-24(35)12-10-22)18-28(39-41)30-8-5-13-46-30/h4-17,29H,18-20H2,1-3H3,(H,36,43)
InChIKey AEJRFYNFFQALDC-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C34H31FN6O4S2
Exact Mass 670.183224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwmKmcHOUJa
Name Benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-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 670.183224009 u
Formula C34H31FN6O4S2
InChI InChI=1S/C34H31FN6O4S2/c1-21-6-4-7-25(14-21)40-31(19-36-33(43)23-15-26(44-2)17-27(16-23)45-3)37-38-34(40)47-20-32(42)41-29(22-9-11-24(35)12-10-22)18-28(39-41)30-8-5-13-46-30/h4-17,29H,18-20H2,1-3H3,(H,36,43)
InChIKey AEJRFYNFFQALDC-UHFFFAOYSA-N
Molecular Weight 670.778 g/mol
SMILES N(C(C1=CC(OC)=CC(=C1)OC)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C1=CC(C)=CC=C1