![2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine](/api/spectrum/IWw7jLvrIOX/structure.png?h=300&w=458 "2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine")
| SpectraBase Compound ID | KQeBu7Z8mBe |
|---|---|
| InChI | InChI=1S/C33H21Cl2N7O6S2/c1-3-47-32(45)28-39-41(20-12-8-18(34)9-13-20)30(49-28)22(16-36)26(43)24-6-5-7-25(38-24)27(44)23(17-37)31-42(21-14-10-19(35)11-15-21)40-29(50-31)33(46)48-4-2/h5-15H,3-4H2,1-2H3/b30-22+,31-23+ |
| InChIKey | DNVWLHRARVPQOH-WECXDZCISA-N |
| Mol Weight | 746.6 g/mol |
| Molecular Formula | C33H21Cl2N7O6S2 |
| Exact Mass | 745.037179 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IWw7jLvrIOX |
|---|---|
| Name | 2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H21Cl2N7O6S2 |
| InChI | InChI=1S/C33H21Cl2N7O6S2/c1-3-47-32(45)28-39-41(20-12-8-18(34)9-13-20)30(49-28)22(16-36)26(43)24-6-5-7-25(38-24)27(44)23(17-37)31-42(21-14-10-19(35)11-15-21)40-29(50-31)33(46)48-4-2/h5-15H,3-4H2,1-2H3/b30-22+,31-23+ |
| InChIKey | DNVWLHRARVPQOH-WECXDZCISA-N |
| Molecular Weight | 746.600 g/mol |
| SMILES | C1(=NN(\C(S1)=C/(C(c1nc(C(\C(=C/2N(N=C(S2)C(=O)OCC)c2ccc(cc2)Cl)C#N)=O)ccc1)=O)C#N)c1ccc(cc1)Cl)C(=O)OCC |
| SPLASH | splash10-0a6s-9110000200-b63a92910808ab534c6b |
| Source of Spectrum | Y-50-1163-20b |
| Synonyms | (5E,5'E)-diethyl 5,5'-(pyridine-2,6-diylbis(1-cyano-2-oxoethan-2-yl-1-ylidene))bis(4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate) (5E)-4-(4-chlorophenyl)-5-[2-[6-[(2E)-2-[3-(4-chlorophenyl)-5-ethoxycarbonyl-1,3,4-thiadiazol-2-ylidene]-2-cyano-1-oxoethyl]-2-pyridinyl]-1-cyano-2-oxoethylidene]-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Ethyl (5E)-4-(4-chlorophenyl)-5-[2-[6-[(2E)-2-[3-(4-chlorophenyl)-5-ethoxycarbonyl-1,3,4-thiadiazol-2-ylidene]-2-cyanoacetyl]pyridin-2-yl]-1-cyano-2-oxoethylidene]-1,3,4-thiadiazole-2-carboxylate Ethyl (5E)-4-(4-chlorophenyl)-5-[2-[6-[(2E)-2-[3-(4-chlorophenyl)-5-ethoxycarbonyl-1,3,4-thiadiazol-2-ylidene]-2-cyano-acetyl]-2-pyridyl]-1-cyano-2-oxo-ethylidene]-1,3,4-thiadiazole-2-carboxylate Ethyl (5E)-4-(4-chlorophenyl)-5-[2-[6-[(2E)-2-[3-(4-chlorophenyl)-5-ethoxycarbonyl-1,3,4-thiadiazol-2-ylidene]-2-cyano-ethanoyl]pyridin-2-yl]-1-cyano-2-oxidanylidene-ethylidene]-1,3,4-thiadiazole-2-carboxylate |
| Wiley ID | 1736751 |