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benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-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

benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID BxirhIVGhVt
InChI InChI=1S/C28H28N6O4S2/c1-33-24(16-29-27(36)18-9-5-4-6-10-18)30-31-28(33)40-17-25(35)34-21(15-20(32-34)23-13-8-14-39-23)19-11-7-12-22(37-2)26(19)38-3/h4-14,21H,15-17H2,1-3H3,(H,29,36)
InChIKey HVCYOVNDZLQRDJ-UHFFFAOYSA-N
Mol Weight 576.69 g/mol
Molecular Formula C28H28N6O4S2
Exact Mass 576.161346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1R0GGZVN6e5
Name Benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-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 576.161345750 u
Formula C28H28N6O4S2
InChI InChI=1S/C28H28N6O4S2/c1-33-24(16-29-27(36)18-9-5-4-6-10-18)30-31-28(33)40-17-25(35)34-21(15-20(32-34)23-13-8-14-39-23)19-11-7-12-22(37-2)26(19)38-3/h4-14,21H,15-17H2,1-3H3,(H,29,36)
InChIKey HVCYOVNDZLQRDJ-UHFFFAOYSA-N
Molecular Weight 576.690 g/mol
SMILES N(C(=O)C1=CC=CC=C1)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=C(C(OC)=CC=C2)OC)=O)=NN1)C