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

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-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID 5PNRvXRG336
InChI InChI=1S/C34H32N6O4S2/c1-43-25-16-14-24(15-17-25)28-19-27(30-13-8-18-45-30)38-40(28)32(41)22-46-34-37-36-31(39(34)21-23-9-4-3-5-10-23)20-35-33(42)26-11-6-7-12-29(26)44-2/h3-18,28H,19-22H2,1-2H3,(H,35,42)
InChIKey BEHSBHGZVJOHHK-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C34H32N6O4S2
Exact Mass 652.192646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iH6oebrnDv
Name Benzamide, N-[[5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.192645878 u
Formula C34H32N6O4S2
InChI InChI=1S/C34H32N6O4S2/c1-43-25-16-14-24(15-17-25)28-19-27(30-13-8-18-45-30)38-40(28)32(41)22-46-34-37-36-31(39(34)21-23-9-4-3-5-10-23)20-35-33(42)26-11-6-7-12-29(26)44-2/h3-18,28H,19-22H2,1-2H3,(H,35,42)
InChIKey BEHSBHGZVJOHHK-UHFFFAOYSA-N
Molecular Weight 652.788 g/mol
SMILES N(C(C1=C(OC)C=CC=C1)=O)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)OC)=O)CC=1C=CC=CC1