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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-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-

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-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 3EDEOoGo0s8
InChI InChI=1S/C33H30N6O3S2/c1-22-14-16-23(17-15-22)27-19-25(29-13-8-18-43-29)37-39(27)31(40)21-44-33-36-35-30(20-34-32(41)24-9-4-3-5-10-24)38(33)26-11-6-7-12-28(26)42-2/h3-18,27H,19-21H2,1-2H3,(H,34,41)
InChIKey ZFDPJFAARJFMLA-UHFFFAOYSA-N
Mol Weight 622.8 g/mol
Molecular Formula C33H30N6O3S2
Exact Mass 622.182081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBLkw65qSb
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-methoxyphenyl)-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 622.182081195 u
Formula C33H30N6O3S2
InChI InChI=1S/C33H30N6O3S2/c1-22-14-16-23(17-15-22)27-19-25(29-13-8-18-43-29)37-39(27)31(40)21-44-33-36-35-30(20-34-32(41)24-9-4-3-5-10-24)38(33)26-11-6-7-12-28(26)42-2/h3-18,27H,19-21H2,1-2H3,(H,34,41)
InChIKey ZFDPJFAARJFMLA-UHFFFAOYSA-N
Molecular Weight 622.762 g/mol
SMILES N(C(=O)C1=CC=CC=C1)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)C)=O)C1=C(OC)C=CC=C1