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benzamide, N-[[4-(3-chlorophenyl)-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]-3,5-dimethoxy-

View entire compound with spectra: 2 NMR

benzamide, N-[[4-(3-chlorophenyl)-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]-3,5-dimethoxy-
SpectraBase Compound ID GOS49qmRcst
InChI InChI=1S/C33H28ClFN6O4S2/c1-44-25-13-21(14-26(16-25)45-2)32(43)36-18-30-37-38-33(40(30)24-6-3-5-22(34)15-24)47-19-31(42)41-28(20-8-10-23(35)11-9-20)17-27(39-41)29-7-4-12-46-29/h3-16,28H,17-19H2,1-2H3,(H,36,43)
InChIKey OCMSMYRMQNWQIP-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C33H28ClFN6O4S2
Exact Mass 690.128602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuiZZXvO6FA
Name Benzamide, N-[[4-(3-chlorophenyl)-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]-3,5-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 690.128601613 u
Formula C33H28ClFN6O4S2
InChI InChI=1S/C33H28ClFN6O4S2/c1-44-25-13-21(14-26(16-25)45-2)32(43)36-18-30-37-38-33(40(30)24-6-3-5-22(34)15-24)47-19-31(42)41-28(20-8-10-23(35)11-9-20)17-27(39-41)29-7-4-12-46-29/h3-16,28H,17-19H2,1-2H3,(H,36,43)
InChIKey OCMSMYRMQNWQIP-UHFFFAOYSA-N
Molecular Weight 691.196 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(Cl)=CC=C1