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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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID 6OoiAlKdezb
InChI InChI=1S/C34H31FN6O5S2/c1-44-24-15-22(16-25(17-24)45-2)33(43)36-19-31-37-38-34(40(31)27-7-4-5-8-29(27)46-3)48-20-32(42)41-28(21-10-12-23(35)13-11-21)18-26(39-41)30-9-6-14-47-30/h4-17,28H,18-20H2,1-3H3,(H,36,43)
InChIKey JGLMJPZEPKSSES-UHFFFAOYSA-N
Mol Weight 686.8 g/mol
Molecular Formula C34H31FN6O5S2
Exact Mass 686.178139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlLk8i43XQG
Name Benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-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 686.178138628 u
Formula C34H31FN6O5S2
InChI InChI=1S/C34H31FN6O5S2/c1-44-24-15-22(16-25(17-24)45-2)33(43)36-19-31-37-38-34(40(31)27-7-4-5-8-29(27)46-3)48-20-32(42)41-28(21-10-12-23(35)13-11-21)18-26(39-41)30-9-6-14-47-30/h4-17,28H,18-20H2,1-3H3,(H,36,43)
InChIKey JGLMJPZEPKSSES-UHFFFAOYSA-N
Molecular Weight 686.777 g/mol
SMILES N(C(C=1C=C(OC)C=C(C1)OC)=O)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)F)=O)C1=C(OC)C=CC=C1