| SpectraBase Spectrum ID |
879J9hEKKPo |
| Name |
Benzamide, N-[[4-(2,3-dimethylphenyl)-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]-3,5-dimethoxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
684.198874074 u |
| Formula |
C35H33FN6O4S2 |
| InChI |
InChI=1S/C35H33FN6O4S2/c1-21-7-5-8-29(22(21)2)41-32(19-37-34(44)24-15-26(45-3)17-27(16-24)46-4)38-39-35(41)48-20-33(43)42-30(23-10-12-25(36)13-11-23)18-28(40-42)31-9-6-14-47-31/h5-17,30H,18-20H2,1-4H3,(H,37,44) |
| InChIKey |
AKHGIECGGTVQHT-UHFFFAOYSA-N |
| Molecular Weight |
684.805 g/mol |
| SMILES |
N(C(C1=CC(OC)=CC(=C1)OC)=O)CC=1N(C(=NN1)SCC(N1N=C(C=2SC=CC2)CC1C1=CC=C(C=C1)F)=O)C1=C(C(C)=CC=C1)C |
![benzamide, N-[[4-(2,3-dimethylphenyl)-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]-3,5-dimethoxy-](/api/spectrum/879J9hEKKPo/structure.png?h=300&w=458 "benzamide, N-[[4-(2,3-dimethylphenyl)-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]-3,5-dimethoxy-")
