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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID 3Rj7YIExJfv
InChI InChI=1S/C35H34N6O4S2/c1-4-45-26-17-15-25(16-18-26)40-32(21-36-34(43)27-8-5-6-9-30(27)44-3)37-38-35(40)47-22-33(42)41-29(24-13-11-23(2)12-14-24)20-28(39-41)31-10-7-19-46-31/h5-19,29H,4,20-22H2,1-3H3,(H,36,43)
InChIKey ZPQRKXZAIWVKST-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 FXqOeYIu5Rs
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
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/c1-4-45-26-17-15-25(16-18-26)40-32(21-36-34(43)27-8-5-6-9-30(27)44-3)37-38-35(40)47-22-33(42)41-29(24-13-11-23(2)12-14-24)20-28(39-41)31-10-7-19-46-31/h5-19,29H,4,20-22H2,1-3H3,(H,36,43)
InChIKey ZPQRKXZAIWVKST-UHFFFAOYSA-N
Molecular Weight 666.815 g/mol
SMILES N(C(C1=C(OC)C=CC=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)C)=O)=NN1)C=1C=CC(=CC1)OCC