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2-thiophenecarboxamide, 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

2-thiophenecarboxamide, 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 2PvNDd3vQex
InChI InChI=1S/C30H25FN6O2S3/c1-19-5-2-6-22(15-19)36-27(17-32-29(39)26-8-4-14-41-26)33-34-30(36)42-18-28(38)37-24(20-9-11-21(31)12-10-20)16-23(35-37)25-7-3-13-40-25/h2-15,24H,16-18H2,1H3,(H,32,39)
InChIKey SKSXGAKAXJHNOK-UHFFFAOYSA-N
Mol Weight 616.75 g/mol
Molecular Formula C30H25FN6O2S3
Exact Mass 616.118516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6OpohYuHg6
Name 2-Thiophenecarboxamide, 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 616.118515752 u
Formula C30H25FN6O2S3
InChI InChI=1S/C30H25FN6O2S3/c1-19-5-2-6-22(15-19)36-27(17-32-29(39)26-8-4-14-41-26)33-34-30(36)42-18-28(38)37-24(20-9-11-21(31)12-10-20)16-23(35-37)25-7-3-13-40-25/h2-15,24H,16-18H2,1H3,(H,32,39)
InChIKey SKSXGAKAXJHNOK-UHFFFAOYSA-N
Molecular Weight 616.748 g/mol
SMILES N(C(C=1SC=CC1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C1=CC(C)=CC=C1