| SpectraBase Compound ID | 1gKelvHHQlo |
|---|---|
| InChI | InChI=1S/C24H19N7O4S2/c1-14-20(22(33)30(28(14)3)17-7-5-4-6-8-17)19-13-36-23(25-19)26-24-29(27-21(37-24)15(2)32)16-9-11-18(12-10-16)31(34)35/h4-13H,1-3H3/b26-24- |
| InChIKey | KQKBDFNQYOCGFS-LCUIJRPUSA-N |
| Mol Weight | 533.58 g/mol |
| Molecular Formula | C24H19N7O4S2 |
| Exact Mass | 533.093994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Gt3w01X8cc |
|---|---|
| Name | 5-Acetyl-2-(4-(2,3-dimethyl-1-phenyl-5-oxo-pyrazol-4-yl)thiazol-2-ylimino)-3-(4-nitrophenyl)-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H19N7O4S2 |
| InChI | InChI=1S/C24H19N7O4S2/c1-14-20(22(33)30(28(14)3)17-7-5-4-6-8-17)19-13-36-23(25-19)26-24-29(27-21(37-24)15(2)32)16-9-11-18(12-10-16)31(34)35/h4-13H,1-3H3/b26-24- |
| InChIKey | KQKBDFNQYOCGFS-LCUIJRPUSA-N |
| Molecular Weight | 533.581 g/mol |
| SMILES | C=1(C(N(c2ccccc2)N(C1C)C)=O)c1nc(\N=C/2SC(C(=O)C)=NN2c2ccc(N(=O)=O)cc2)sc1 |
| SPLASH | splash10-0a59-9220040000-c5d33e62141819d49bb8 |
| Source of Spectrum | EMC-70-746-10e |
| Synonyms | (Z)-4-(2-((5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino)thiazol-4-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one 4-[2-[(Z)-[5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]amino]-4-thiazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone 4-[2-[(Z)-[5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one 4-[2-[(Z)-[5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]amino]thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[2-[(Z)-[5-ethanoyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,3-thiazol-4-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one |
| Wiley ID | 1740137 |