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2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine

View entire compound with spectra: 1 MS (GC)

2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine
SpectraBase Compound ID KaUbcMzAvLo
InChI InChI=1S/C33H23N7O6S2/c1-3-45-32(43)28-37-39(20-12-7-5-8-13-20)30(47-28)22(18-34)26(41)24-16-11-17-25(36-24)27(42)23(19-35)31-40(21-14-9-6-10-15-21)38-29(48-31)33(44)46-4-2/h5-17H,3-4H2,1-2H3/b30-22+,31-23+
InChIKey FPFHJTTVVRMBQD-WECXDZCISA-N
Mol Weight 677.7 g/mol
Molecular Formula C33H23N7O6S2
Exact Mass 677.115124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Dpg6qVRjWn
Name 2,6-Bis-[(2E)-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine
Alternate Name(s) (5E,5'E)-diethyl 5,5'-(pyridine-2,6-diylbis(1-cyano-2-oxoethan-2-yl-1-ylidene))bis(4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate) (5E)-5-[1-cyano-2-[6-[(2E)-2-cyano-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-1-oxoethyl]-2-pyridinyl]-2-oxoethylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Ethyl (5E)-5-[1-cyano-2-[6-[(2E)-2-cyano-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)acetyl]pyridin-2-yl]-2-oxoethylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylate Ethyl (5E)-5-[1-cyano-2-[6-[(2E)-2-cyano-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)acetyl]-2-pyridyl]-2-oxo-ethylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylate Ethyl (5E)-5-[1-cyano-2-[6-[(2E)-2-cyano-2-(5-ethoxycarbonyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)ethanoyl]pyridin-2-yl]-2-oxidanylidene-ethylidene]-4-phenyl-1,3,4-thiadiazole-2-carboxylate
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Formula C33H23N7O6S2
InChI InChI=1S/C33H23N7O6S2/c1-3-45-32(43)28-37-39(20-12-7-5-8-13-20)30(47-28)22(18-34)26(41)24-16-11-17-25(36-24)27(42)23(19-35)31-40(21-14-9-6-10-15-21)38-29(48-31)33(44)46-4-2/h5-17H,3-4H2,1-2H3/b30-22+,31-23+
InChIKey FPFHJTTVVRMBQD-WECXDZCISA-N
Molecular Weight 677.710 g/mol
SMILES C1(=NN(\C(S1)=C/(C(c1nc(C(\C(=C/2N(N=C(S2)C(=O)OCC)c2ccccc2)C#N)=O)ccc1)=O)C#N)c1ccccc1)C(=O)OCC
SPLASH splash10-004i-9003302000-8174343d86608ad531b6
Source of Spectrum Y-50-1163-20a
Wiley ID 1736752