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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-(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-methylphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID JeRiZqnavLZ
InChI InChI=1S/C33H30N6O2S2/c1-22-13-15-24(16-14-22)28-19-27(29-12-7-17-42-29)37-39(28)31(40)21-43-33-36-35-30(38(33)26-11-6-8-23(2)18-26)20-34-32(41)25-9-4-3-5-10-25/h3-18,28H,19-21H2,1-2H3,(H,34,41)
InChIKey RUIDEGSWPAXALN-UHFFFAOYSA-N
Mol Weight 606.8 g/mol
Molecular Formula C33H30N6O2S2
Exact Mass 606.187167 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7WuYYYVcye
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methylphenyl)-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 606.187166576 u
Formula C33H30N6O2S2
InChI InChI=1S/C33H30N6O2S2/c1-22-13-15-24(16-14-22)28-19-27(29-12-7-17-42-29)37-39(28)31(40)21-43-33-36-35-30(38(33)26-11-6-8-23(2)18-26)20-34-32(41)25-9-4-3-5-10-25/h3-18,28H,19-21H2,1-2H3,(H,34,41)
InChIKey RUIDEGSWPAXALN-UHFFFAOYSA-N
Molecular Weight 606.763 g/mol
SMILES N(C(=O)C1=CC=CC=C1)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)C)=O)=NN1)C1=CC(C)=CC=C1