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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
SpectraBase Compound ID I5JNtJ2CP4B
InChI InChI=1S/C35H34N6O5S2/c1-22-7-5-8-25(15-22)40-32(20-36-34(43)24-16-27(45-3)18-28(17-24)46-4)37-38-35(40)48-21-33(42)41-30(23-10-12-26(44-2)13-11-23)19-29(39-41)31-9-6-14-47-31/h5-18,30H,19-21H2,1-4H3,(H,36,43)
InChIKey WSEVHLJKYHDAMU-UHFFFAOYSA-N
Mol Weight 682.8 g/mol
Molecular Formula C35H34N6O5S2
Exact Mass 682.203211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEuhSsZwZad
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 682.203210562 u
Formula C35H34N6O5S2
InChI InChI=1S/C35H34N6O5S2/c1-22-7-5-8-25(15-22)40-32(20-36-34(43)24-16-27(45-3)18-28(17-24)46-4)37-38-35(40)48-21-33(42)41-30(23-10-12-26(44-2)13-11-23)19-29(39-41)31-9-6-14-47-31/h5-18,30H,19-21H2,1-4H3,(H,36,43)
InChIKey WSEVHLJKYHDAMU-UHFFFAOYSA-N
Molecular Weight 682.814 g/mol
SMILES N(C(C1=CC(OC)=CC(=C1)OC)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)OC)=O)=NN1)C1=CC(C)=CC=C1