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

View entire compound with spectra: 2 NMR

benzamide, 4-[(dimethylamino)sulfonyl]-N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID Ga4gw81fOc4
InChI InChI=1S/C28H28FN7O4S3/c1-34(2)43(39,40)21-12-8-19(9-13-21)27(38)30-16-25-31-32-28(35(25)3)42-17-26(37)36-23(18-6-10-20(29)11-7-18)15-22(33-36)24-5-4-14-41-24/h4-14,23H,15-17H2,1-3H3,(H,30,38)
InChIKey KKCATKGCYLZVRD-UHFFFAOYSA-N
Mol Weight 641.76 g/mol
Molecular Formula C28H28FN7O4S3
Exact Mass 641.134894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EF1aaLOPoed
Name Benzamide, 4-[(dimethylamino)sulfonyl]-N-[[5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4-methyl-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 641.134894091 u
Formula C28H28FN7O4S3
InChI InChI=1S/C28H28FN7O4S3/c1-34(2)43(39,40)21-12-8-19(9-13-21)27(38)30-16-25-31-32-28(35(25)3)42-17-26(37)36-23(18-6-10-20(29)11-7-18)15-22(33-36)24-5-4-14-41-24/h4-14,23H,15-17H2,1-3H3,(H,30,38)
InChIKey KKCATKGCYLZVRD-UHFFFAOYSA-N
Molecular Weight 641.755 g/mol
SMILES N(C(C1=CC=C(S(N(C)C)(=O)=O)C=C1)=O)CC=1N(C(SCC(N2N=C(C=3SC=CC3)CC2C2=CC=C(C=C2)F)=O)=NN1)C