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

View entire compound with spectra: 2 NMR

2-thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID AlvMwhrnwHA
InChI InChI=1S/C25H24N6O3S3/c1-30-22(14-26-24(33)21-6-4-12-36-21)27-28-25(30)37-15-23(32)31-19(16-7-9-17(34-2)10-8-16)13-18(29-31)20-5-3-11-35-20/h3-12,19H,13-15H2,1-2H3,(H,26,33)
InChIKey QZJJXKJGMDQUEL-UHFFFAOYSA-N
Mol Weight 552.69 g/mol
Molecular Formula C25H24N6O3S3
Exact Mass 552.107202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eRnKVM7O2S
Name 2-Thiophenecarboxamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-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 552.107202176 u
Formula C25H24N6O3S3
InChI InChI=1S/C25H24N6O3S3/c1-30-22(14-26-24(33)21-6-4-12-36-21)27-28-25(30)37-15-23(32)31-19(16-7-9-17(34-2)10-8-16)13-18(29-31)20-5-3-11-35-20/h3-12,19H,13-15H2,1-2H3,(H,26,33)
InChIKey QZJJXKJGMDQUEL-UHFFFAOYSA-N
Molecular Weight 552.686 g/mol
SMILES N(C(C=1SC=CC1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)OC)=O)=NN1)C