![N-[5-[3,6-diketo-4-(4-nitroanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide](/api/spectrum/IMBl49aZU/structure.png?h=300&w=458 "N-[5-[3,6-diketo-4-(4-nitroanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide")
| SpectraBase Compound ID | IhthItOcXYL |
|---|---|
| InChI | InChI=1S/C21H13N5O5S/c27-17-11-16(22-13-6-8-14(9-7-13)26(30)31)18(28)10-15(17)20-24-25-21(32-20)23-19(29)12-4-2-1-3-5-12/h1-11,22H,(H,23,25,29) |
| InChIKey | LMHVBAWMTKTSLW-UHFFFAOYSA-N |
| Mol Weight | 447.43 g/mol |
| Molecular Formula | C21H13N5O5S |
| Exact Mass | 447.06374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IMBl49aZU |
|---|---|
| Name | N-[5-[3,6-diketo-4-(4-nitroanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H13N5O5S |
| InChI | InChI=1S/C21H13N5O5S/c27-17-11-16(22-13-6-8-14(9-7-13)26(30)31)18(28)10-15(17)20-24-25-21(32-20)23-19(29)12-4-2-1-3-5-12/h1-11,22H,(H,23,25,29) |
| InChIKey | LMHVBAWMTKTSLW-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_(SICI)1521-4184(199812)331_12_385 |
| Molecular Weight | 447.425 g/mol |
| SMILES | N(C(c1ccccc1)=O)c1sc(C2=CC(C(=CC2=O)Nc2ccc(cc2)[N+](=O)[O-])=O)nn1 |
| SPLASH | splash10-0a6r-7900600000-6b983c4bde2c053340cb |
| Source of Spectrum | APP-385-388-4g |
| Synonyms | 2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone N-[5-[4-(4-nitroanilino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-nitroanilino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-[(4-nitrophenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-(5-(4-((4-nitrophenyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide N-[5-[4-(4-nitroanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide |
| Wiley ID | 1770249 |