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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID DWNXK4f6K5k
InChI InChI=1S/C24H23N5O5S/c1-3-4-21-27-28-22(25)19(23(30)26-24(28)35-21)14-16-13-17(29(31)32)7-10-20(16)34-12-11-33-18-8-5-15(2)6-9-18/h5-10,13-14,25H,3-4,11-12H2,1-2H3/b19-14-,25-22?
InChIKey WYGOGUQNBXAVQL-ZQFCNSAKSA-N
Mol Weight 493.54 g/mol
Molecular Formula C24H23N5O5S
Exact Mass 493.14199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2igxgPQMxU
Name (6Z)-5-azanylidene-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C24H23N5O5S
InChI InChI=1S/C24H23N5O5S/c1-3-4-21-27-28-22(25)19(23(30)26-24(28)35-21)14-16-13-17(29(31)32)7-10-20(16)34-12-11-33-18-8-5-15(2)6-9-18/h5-10,13-14,25H,3-4,11-12H2,1-2H3/b19-14-,25-22?
InChIKey WYGOGUQNBXAVQL-ZQFCNSAKSA-N
Molecular Weight 493.538 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1cc(N(=O)=O)ccc1OCCOc1ccc(cc1)C
SPLASH splash10-0a4i-9400000000-b335fdd356f1b3fd6c95
Synonyms (6Z)-5-imino-6-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-benzylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]methylene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453833