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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-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID Lv2MkubsI8k
InChI InChI=1S/C35H34N6O4S2/c1-22-15-16-23(2)27(18-22)40-31(20-36-34(43)24-10-6-5-7-11-24)37-38-35(40)47-21-32(42)41-28(19-26(39-41)30-14-9-17-46-30)25-12-8-13-29(44-3)33(25)45-4/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey XESNOVJHIGEYOG-UHFFFAOYSA-N
Mol Weight 666.8 g/mol
Molecular Formula C35H34N6O4S2
Exact Mass 666.208296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRdvkUr2aBW
Name Benzamide, N-[[5-[[2-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-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 666.208295943 u
Formula C35H34N6O4S2
InChI InChI=1S/C35H34N6O4S2/c1-22-15-16-23(2)27(18-22)40-31(20-36-34(43)24-10-6-5-7-11-24)37-38-35(40)47-21-32(42)41-28(19-26(39-41)30-14-9-17-46-30)25-12-8-13-29(44-3)33(25)45-4/h5-18,28H,19-21H2,1-4H3,(H,36,43)
InChIKey XESNOVJHIGEYOG-UHFFFAOYSA-N
Molecular Weight 666.815 g/mol
SMILES N(C(=O)C1=CC=CC=C1)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=C(C(OC)=CC=C1)OC)=O)C1=C(C=CC(=C1)C)C