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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-4-methoxy-
SpectraBase Compound ID H0Mbgktcaue
InChI InChI=1S/C30H29BrN6O3S/c1-19-4-6-21(7-5-19)26-16-25(20-8-12-23(31)13-9-20)35-37(26)28(38)18-41-30-34-33-27(36(30)2)17-32-29(39)22-10-14-24(40-3)15-11-22/h4-15,26H,16-18H2,1-3H3,(H,32,39)
InChIKey GZUWYOQKAAZEBA-UHFFFAOYSA-N
Mol Weight 633.57 g/mol
Molecular Formula C30H29BrN6O3S
Exact Mass 632.120523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZwWwB8fPn8
Name Benzamide, N-[[5-[[2-[3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-4-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 632.120522989 u
Formula C30H29BrN6O3S
InChI InChI=1S/C30H29BrN6O3S/c1-19-4-6-21(7-5-19)26-16-25(20-8-12-23(31)13-9-20)35-37(26)28(38)18-41-30-34-33-27(36(30)2)17-32-29(39)22-10-14-24(40-3)15-11-22/h4-15,26H,16-18H2,1-3H3,(H,32,39)
InChIKey GZUWYOQKAAZEBA-UHFFFAOYSA-N
Molecular Weight 633.565 g/mol
SMILES N(C(C1=CC=C(C=C1)OC)=O)CC=1N(C(SCC(N2N=C(C3=CC=C(C=C3)Br)CC2C2=CC=C(C=C2)C)=O)=NN1)C