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2-Ethylthio-6,8-bis(4'-nitroobenzoyl)-6,7-dihydro-5H-1,3,4-thiadiazolo[3,2-a]pyridine
SpectraBase Compound ID 79UgInM8Qvc
InChI InChI=1S/C22H18N4O6S2/c1-2-33-22-23-24-12-15(19(27)13-3-7-16(8-4-13)25(29)30)11-18(21(24)34-22)20(28)14-5-9-17(10-6-14)26(31)32/h3-10,15H,2,11-12H2,1H3
InChIKey LTCLSVIUKSQIBA-UHFFFAOYSA-N
Mol Weight 498.53 g/mol
Molecular Formula C22H18N4O6S2
Exact Mass 498.066777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmnoWreSBc8
Name 2-Ethylthio-6,8-bis(4'-nitroobenzoyl)-6,7-dihydro-5H-1,3,4-thiadiazolo[3,2-a]pyridine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N4O6S2
InChI InChI=1S/C22H18N4O6S2/c1-2-33-22-23-24-12-15(19(27)13-3-7-16(8-4-13)25(29)30)11-18(21(24)34-22)20(28)14-5-9-17(10-6-14)26(31)32/h3-10,15H,2,11-12H2,1H3
InChIKey LTCLSVIUKSQIBA-UHFFFAOYSA-N
Molecular Weight 498.528 g/mol
SMILES C12=C(CC(C(c3ccc(N(=O)=O)cc3)=O)CN1N=C(S2)SCC)C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0zg0-9502200000-38ed2ee1ee85242e540f
Source of Spectrum U1-1998-1203-4
Synonyms [2-(ethylthio)-8-[(4-nitrophenyl)-oxomethyl]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyridin-6-yl]-(4-nitrophenyl)methanone [2-ethylsulfanyl-8-(4-nitrobenzoyl)-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyridin-6-yl]-(4-nitrophenyl)methanone [2-ethylsulfanyl-8-(4-nitrophenyl)carbonyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyridin-6-yl]-(4-nitrophenyl)methanone
Wiley ID 751364