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

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-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-
SpectraBase Compound ID 304eHha15Vf
InChI InChI=1S/C34H31FN6O4S2/c1-44-28-15-12-24(17-29(28)45-2)33(43)36-19-31-37-38-34(40(31)20-22-7-4-3-5-8-22)47-21-32(42)41-27(23-10-13-25(35)14-11-23)18-26(39-41)30-9-6-16-46-30/h3-17,27H,18-21H2,1-2H3,(H,36,43)
InChIKey XOWNPABIFFRBNN-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C34H31FN6O4S2
Exact Mass 670.183224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlIyetM9Tli
Name Benzamide, N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.183224009 u
Formula C34H31FN6O4S2
InChI InChI=1S/C34H31FN6O4S2/c1-44-28-15-12-24(17-29(28)45-2)33(43)36-19-31-37-38-34(40(31)20-22-7-4-3-5-8-22)47-21-32(42)41-27(23-10-13-25(35)14-11-23)18-26(39-41)30-9-6-16-46-30/h3-17,27H,18-21H2,1-2H3,(H,36,43)
InChIKey XOWNPABIFFRBNN-UHFFFAOYSA-N
Molecular Weight 670.778 g/mol
SMILES N(C(C1=CC(OC)=C(C=C1)OC)=O)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)F)=O)CC1=CC=CC=C1