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

View entire compound with spectra: 2 NMR

2-furancarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID PuCm5aXaLB
InChI InChI=1S/C30H26N6O3S2/c1-20-11-13-21(14-12-20)24-17-23(26-10-6-16-40-26)34-36(24)28(37)19-41-30-33-32-27(35(30)22-7-3-2-4-8-22)18-31-29(38)25-9-5-15-39-25/h2-16,24H,17-19H2,1H3,(H,31,38)
InChIKey LHHAQLJAODGXCQ-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C30H26N6O3S2
Exact Mass 582.150781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwNQCmZ7EKw
Name 2-Furancarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-phenyl-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 582.150781066 u
Formula C30H26N6O3S2
InChI InChI=1S/C30H26N6O3S2/c1-20-11-13-21(14-12-20)24-17-23(26-10-6-16-40-26)34-36(24)28(37)19-41-30-33-32-27(35(30)22-7-3-2-4-8-22)18-31-29(38)25-9-5-15-39-25/h2-16,24H,17-19H2,1H3,(H,31,38)
InChIKey LHHAQLJAODGXCQ-UHFFFAOYSA-N
Molecular Weight 582.697 g/mol
SMILES N(C(C=1OC=CC1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)C)=O)=NN1)C1=CC=CC=C1