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

View entire compound with spectra: 2 NMR

benzamide, N-[[4-(3-chlorophenyl)-5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-
SpectraBase Compound ID 555bJkY4iGu
InChI InChI=1S/C33H29ClN6O4S2/c1-43-24-14-12-21(13-15-24)27-18-26(29-11-6-16-45-29)38-40(27)31(41)20-46-33-37-36-30(39(33)23-8-5-7-22(34)17-23)19-35-32(42)25-9-3-4-10-28(25)44-2/h3-17,27H,18-20H2,1-2H3,(H,35,42)
InChIKey BXAMIEQITWQSRL-UHFFFAOYSA-N
Mol Weight 673.2 g/mol
Molecular Formula C33H29ClN6O4S2
Exact Mass 672.138023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWTP6uelSxK
Name Benzamide, N-[[4-(3-chlorophenyl)-5-[[2-[4,5-dihydro-5-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-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 672.138023482 u
Formula C33H29ClN6O4S2
InChI InChI=1S/C33H29ClN6O4S2/c1-43-24-14-12-21(13-15-24)27-18-26(29-11-6-16-45-29)38-40(27)31(41)20-46-33-37-36-30(39(33)23-8-5-7-22(34)17-23)19-35-32(42)25-9-3-4-10-28(25)44-2/h3-17,27H,18-20H2,1-2H3,(H,35,42)
InChIKey BXAMIEQITWQSRL-UHFFFAOYSA-N
Molecular Weight 673.206 g/mol
SMILES N(C(C1=C(OC)C=CC=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)OC)=O)=NN1)C1=CC(Cl)=CC=C1