| SpectraBase Spectrum ID |
4IAoII8QjMQ |
| Name |
Benzamide, N-[[4-(4-fluorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-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 |
644.147587392 u |
| Formula |
C32H26F2N6O3S2 |
| InChI |
InChI=1S/C32H26F2N6O3S2/c1-43-27-6-3-2-5-24(27)31(42)35-18-29-36-37-32(39(29)23-14-12-22(34)13-15-23)45-19-30(41)40-26(20-8-10-21(33)11-9-20)17-25(38-40)28-7-4-16-44-28/h2-16,26H,17-19H2,1H3,(H,35,42) |
| InChIKey |
WNDPJRQMOXGALI-UHFFFAOYSA-N |
| Molecular Weight |
644.716 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)F)=O)=NN1)C=1C=CC(=CC1)F |
![benzamide, N-[[4-(4-fluorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-](/api/spectrum/4IAoII8QjMQ/structure.png?h=300&w=458 "benzamide, N-[[4-(4-fluorophenyl)-5-[[2-[5-(4-fluorophenyl)-4,5-dihydro-3-(2-thienyl)-1H-pyrazol-1-yl]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-2-methoxy-")
