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5,5'-{Propane-1,3-diyl-bis[((4''-ethoxycarbonyl)-1H-1,2,3-triazole-1,5-diyl)sulfanyl]}-bis[4-ethoxycarbonyl-1,2,3-thiadiazole]

View entire compound with spectra: 1 MS (GC)

5,5'-{Propane-1,3-diyl-bis[((4''-ethoxycarbonyl)-1H-1,2,3-triazole-1,5-diyl)sulfanyl]}-bis[4-ethoxycarbonyl-1,2,3-thiadiazole]
SpectraBase Compound ID 9fgp7yWhTAq
InChI InChI=1S/C23H26N10O8S4/c1-5-38-18(34)12-16(42-22-14(26-30-44-22)20(36)40-7-3)32(28-24-12)10-9-11-33-17(13(25-29-33)19(35)39-6-2)43-23-15(27-31-45-23)21(37)41-8-4/h5-11H2,1-4H3
InChIKey LNXOZFVUDPYGGH-UHFFFAOYSA-N
Mol Weight 698.8 g/mol
Molecular Formula C23H26N10O8S4
Exact Mass 698.081793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YxQqDTljcN
Name 5,5'-{Propane-1,3-diyl-bis[((4''-ethoxycarbonyl)-1H-1,2,3-triazole-1,5-diyl)sulfanyl]}-bis[4-ethoxycarbonyl-1,2,3-thiadiazole]
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Formula C23H26N10O8S4
InChI InChI=1S/C23H26N10O8S4/c1-5-38-18(34)12-16(42-22-14(26-30-44-22)20(36)40-7-3)32(28-24-12)10-9-11-33-17(13(25-29-33)19(35)39-6-2)43-23-15(27-31-45-23)21(37)41-8-4/h5-11H2,1-4H3
InChIKey LNXOZFVUDPYGGH-UHFFFAOYSA-N
Molecular Weight 698.763 g/mol
SMILES c1(c(nn[n]1CCC[n]1c(c(C(=O)OCC)nn1)Sc1c(nns1)C(=O)OCC)C(=O)OCC)Sc1c(nns1)C(=O)OCC
SPLASH splash10-014r-8953000000-102b08761fc5e49aadde
Source of Spectrum F5-1-4036-5c
Synonyms 5,5'-{Propane-1,3-diyl-bis[(4''-ethoxycarbonyl)-1H-1,2,3-triazole-1,5-diyl)sulfanyl]}-bis[4-ethoxycarbonyl-1,2,3-thiadiazole] Diethyl 5,5'-((1,1'-(propane-1,3-diyl)bis(4-(ethoxycarbonyl)-1H-1,2,3-triazole-5,1-diyl))bis(sulfanediyl))bis(1,2,3-thiadiazole-4-carboxylate) 5-[[5-ethoxycarbonyl-3-[3-[4-ethoxycarbonyl-5-[(4-ethoxycarbonyl-5-thiadiazolyl)thio]-1-triazolyl]propyl]-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester Ethyl 5-[5-ethoxycarbonyl-3-[3-[4-ethoxycarbonyl-5-(4-ethoxycarbonylthiadiazol-5-yl)sulfanyltriazol-1-yl]propyl]triazol-4-yl]sulfanylthiadiazole-4-carboxylate Ethyl 5-[5-ethoxycarbonyl-3-[3-[4-ethoxycarbonyl-5-(4-ethoxycarbonylthiadiazol-5-yl)sulfanyl-triazol-1-yl]propyl]triazol-4-yl]sulfanylthiadiazole-4-carboxylate Ethyl 5-[[5-ethoxycarbonyl-3-[3-[4-ethoxycarbonyl-5-[(4-ethoxycarbonyl-1,2,3-thiadiazol-5-yl)sulfanyl]-1,2,3-triazol-1-yl]propyl]-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate
Wiley ID 1731569