| SpectraBase Compound ID | L8ZgxKzRtvo |
|---|---|
| InChI | InChI=1S/C25H21N7O5S2/c1-4-37-23(34)21-28-30(16-10-12-18(13-11-16)32(35)36)25(39-21)27-24-26-19(14-38-24)20-15(2)29(3)31(22(20)33)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b27-25- |
| InChIKey | NTFRBFBNFXTMGI-RFBIWTDZSA-N |
| Mol Weight | 563.61 g/mol |
| Molecular Formula | C25H21N7O5S2 |
| Exact Mass | 563.104559 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | NT1viNjS30 |
|---|---|
| Name | Ethyl 2-(4-(2,3-dimethyl-1-phenyl-5-oxo-pyrazol-4-yl)thiazol-2-ylimino)-3-(4-nitrophenyl)-1,3,4-thiadiazole-5-carboxylate |
| Alternate Name(s) | (Z)-ethyl 5-((4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiazol-2-yl)imino)-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate (5Z)-5-[[4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiazolyl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Ethyl (5Z)-5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Ethyl (5Z)-5-[4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiazol-2-yl]imino-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate Ethyl (5Z)-5-[[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]imino]-4-(4-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H21N7O5S2 |
| InChI | InChI=1S/C25H21N7O5S2/c1-4-37-23(34)21-28-30(16-10-12-18(13-11-16)32(35)36)25(39-21)27-24-26-19(14-38-24)20-15(2)29(3)31(22(20)33)17-8-6-5-7-9-17/h5-14H,4H2,1-3H3/b27-25- |
| InChIKey | NTFRBFBNFXTMGI-RFBIWTDZSA-N |
| Molecular Weight | 563.607 g/mol |
| SMILES | C=1(C(N(c2ccccc2)N(C1C)C)=O)c1nc(\N=C/2SC(C(=O)OCC)=NN2c2ccc(N(=O)=O)cc2)sc1 |
| SPLASH | splash10-03xr-9200010000-194c32ff939984fd34ae |
| Source of Spectrum | EMC-70-746-17e |
| Wiley ID | 1740134 |