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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID Aj9AHx5ZFse
InChI InChI=1S/C33H29FN6O3S2/c1-21-9-11-22(12-10-21)27-18-26(29-8-5-17-44-29)38-40(27)31(41)20-45-33-37-36-30(39(33)24-15-13-23(34)14-16-24)19-35-32(42)25-6-3-4-7-28(25)43-2/h3-17,27H,18-20H2,1-2H3,(H,35,42)
InChIKey FOBXPPPPZDGLCO-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C33H29FN6O3S2
Exact Mass 640.172659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W0lr1u3yL8
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.172659326 u
Formula C33H29FN6O3S2
InChI InChI=1S/C33H29FN6O3S2/c1-21-9-11-22(12-10-21)27-18-26(29-8-5-17-44-29)38-40(27)31(41)20-45-33-37-36-30(39(33)24-15-13-23(34)14-16-24)19-35-32(42)25-6-3-4-7-28(25)43-2/h3-17,27H,18-20H2,1-2H3,(H,35,42)
InChIKey FOBXPPPPZDGLCO-UHFFFAOYSA-N
Molecular Weight 640.752 g/mol
SMILES N(C(C1=C(OC)C=CC=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)C)=O)=NN1)C=1C=CC(=CC1)F