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

View entire compound with spectra: 2 NMR

benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-3-methyl-
SpectraBase Compound ID 9qOPAFN4bJj
InChI InChI=1S/C34H31FN6O2S2/c1-23-7-5-10-26(19-23)33(43)36-21-31-37-38-34(40(31)17-16-24-8-3-2-4-9-24)45-22-32(42)41-29(25-12-14-27(35)15-13-25)20-28(39-41)30-11-6-18-44-30/h2-15,18-19,29H,16-17,20-22H2,1H3,(H,36,43)
InChIKey NBIOYPDTFKNHRA-UHFFFAOYSA-N
Mol Weight 638.8 g/mol
Molecular Formula C34H31FN6O2S2
Exact Mass 638.193395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWnjjq4OcBJ
Name Benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl]-3-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.193394771 u
Formula C34H31FN6O2S2
InChI InChI=1S/C34H31FN6O2S2/c1-23-7-5-10-26(19-23)33(43)36-21-31-37-38-34(40(31)17-16-24-8-3-2-4-9-24)45-22-32(42)41-29(25-12-14-27(35)15-13-25)20-28(39-41)30-11-6-18-44-30/h2-15,18-19,29H,16-17,20-22H2,1H3,(H,36,43)
InChIKey NBIOYPDTFKNHRA-UHFFFAOYSA-N
Molecular Weight 638.780 g/mol
SMILES N(C(C1=CC(C)=CC=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C=2C=CC(=CC2)F)=O)=NN1)CCC=1C=CC=CC1