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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[4,5-dihydro-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 8OYvh9LoRSE
InChI InChI=1S/C30H30N6O3S/c1-20-9-11-22(12-10-20)26-17-25(21-13-15-24(39-3)16-14-21)34-36(26)28(37)19-40-30-33-32-27(35(30)2)18-31-29(38)23-7-5-4-6-8-23/h4-16,26H,17-19H2,1-3H3,(H,31,38)
InChIKey NKEGIGZLNPJAFZ-UHFFFAOYSA-N
Mol Weight 554.67 g/mol
Molecular Formula C30H30N6O3S
Exact Mass 554.21001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjLAB2j8yJS
Name Benzamide, N-[[5-[[2-[4,5-dihydro-3-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-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 554.210010021 u
Formula C30H30N6O3S
InChI InChI=1S/C30H30N6O3S/c1-20-9-11-22(12-10-20)26-17-25(21-13-15-24(39-3)16-14-21)34-36(26)28(37)19-40-30-33-32-27(35(30)2)18-31-29(38)23-7-5-4-6-8-23/h4-16,26H,17-19H2,1-3H3,(H,31,38)
InChIKey NKEGIGZLNPJAFZ-UHFFFAOYSA-N
Molecular Weight 554.669 g/mol
SMILES N(C(=O)C1=CC=CC=C1)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)OC)CC2C2=CC=C(C=C2)C)=O)=NN1)C