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benzeneacetamide, 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]-

View entire compound with spectra: 2 NMR

benzeneacetamide, 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]-
SpectraBase Compound ID G7UqdKi4h0h
InChI InChI=1S/C33H29FN6O2S2/c1-22-7-5-10-26(17-22)39-30(20-35-31(41)18-23-8-3-2-4-9-23)36-37-33(39)44-21-32(42)40-28(24-12-14-25(34)15-13-24)19-27(38-40)29-11-6-16-43-29/h2-17,28H,18-21H2,1H3,(H,35,41)
InChIKey HMKKZTZPCGHFOO-UHFFFAOYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C33H29FN6O2S2
Exact Mass 624.177745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C47lsW6IYoU
Name Benzeneacetamide, 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]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.177744707 u
Formula C33H29FN6O2S2
InChI InChI=1S/C33H29FN6O2S2/c1-22-7-5-10-26(17-22)39-30(20-35-31(41)18-23-8-3-2-4-9-23)36-37-33(39)44-21-32(42)40-28(24-12-14-25(34)15-13-24)19-27(38-40)29-11-6-16-43-29/h2-17,28H,18-21H2,1H3,(H,35,41)
InChIKey HMKKZTZPCGHFOO-UHFFFAOYSA-N
Molecular Weight 624.753 g/mol
SMILES N(C(=O)CC=1C=CC=CC1)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C1=CC(C)=CC=C1