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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]methylene]-, (6Z)-
SpectraBase Compound ID 4mj9OyWuTwo
InChI InChI=1S/C24H23N5O5S/c1-14(2)23-27-28-21(25)19(22(30)26-24(28)35-23)13-16-12-17(29(31)32)6-9-20(16)34-11-10-33-18-7-4-15(3)5-8-18/h4-9,12-14,25H,10-11H2,1-3H3/b19-13-,25-21?
InChIKey FRXPNSNSQBFGNH-QGUUBAPPSA-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 H492ULAgWLT
Name (6Z)-5-azanylidene-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C24H23N5O5S
InChI InChI=1S/C24H23N5O5S/c1-14(2)23-27-28-21(25)19(22(30)26-24(28)35-23)13-16-12-17(29(31)32)6-9-20(16)34-11-10-33-18-7-4-15(3)5-8-18/h4-9,12-14,25H,10-11H2,1-3H3/b19-13-,25-21?
InChIKey FRXPNSNSQBFGNH-QGUUBAPPSA-N
Molecular Weight 493.538 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1cc(N(=O)=O)ccc1OCCOc1ccc(cc1)C
SPLASH splash10-0a4l-9400000000-fe37f512e91dff3a0db4
Synonyms (6Z)-5-imino-2-isopropyl-6-[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-isopropyl-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitro-phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453853