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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]-

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]-
SpectraBase Compound ID 2QyDIgct3DX
InChI InChI=1S/C33H30N6O3S2/c1-22-8-6-11-25(18-22)38-30(20-34-32(41)24-9-4-3-5-10-24)35-36-33(38)44-21-31(40)39-28(23-13-15-26(42-2)16-14-23)19-27(37-39)29-12-7-17-43-29/h3-18,28H,19-21H2,1-2H3,(H,34,41)
InChIKey DCNBJPRMKGOGCO-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 HSXM7dyz4sB
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]-
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/c1-22-8-6-11-25(18-22)38-30(20-34-32(41)24-9-4-3-5-10-24)35-36-33(38)44-21-31(40)39-28(23-13-15-26(42-2)16-14-23)19-27(37-39)29-12-7-17-43-29/h3-18,28H,19-21H2,1-2H3,(H,34,41)
InChIKey DCNBJPRMKGOGCO-UHFFFAOYSA-N
Molecular Weight 622.762 g/mol
SMILES N(C(=O)C=1C=CC=CC1)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)OC)=O)=NN1)C1=CC(C)=CC=C1