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4-PICRYL-2-PHENYL-5-PHENYLCARBAMOYLIMINO-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID 1OoDJwZsHzf
InChI InChI=1S/C21H13N7O8S/c29-19(22-13-7-3-1-4-8-13)23-20-24(21(30)25(37-20)14-9-5-2-6-10-14)18-16(27(33)34)11-15(26(31)32)12-17(18)28(35)36/h1-12H,(H,22,29)/b23-20-
InChIKey DUGBIDJBEDIKAD-ATJXCDBQSA-N
Mol Weight 523.44 g/mol
Molecular Formula C21H13N7O8S
Exact Mass 523.054632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9McwDtM0F46
Name (1Z)-1-(3-keto-2-phenyl-4-picryl-1,2,4-thiadiazolidin-5-ylidene)-3-phenyl-urea
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Formula C21H13N7O8S
InChI InChI=1S/C21H13N7O8S/c29-19(22-13-7-3-1-4-8-13)23-20-24(21(30)25(37-20)14-9-5-2-6-10-14)18-16(27(33)34)11-15(26(31)32)12-17(18)28(35)36/h1-12H,(H,22,29)/b23-20-
InChIKey DUGBIDJBEDIKAD-ATJXCDBQSA-N
Molecular Weight 523.436 g/mol
SMILES N(C(\N=C\1N(C(N(c2ccccc2)S1)=O)c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)=O)c1ccccc1
SPLASH splash10-0g4i-2900200000-788d7ecd5ece09adfb03
Source of Spectrum Y-28-1623-9
Synonyms (1Z)-1-[3-oxidanylidene-2-phenyl-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-phenyl-urea (1Z)-1-[3-oxo-2-phenyl-4-(2,4,6-trinitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]-3-phenyl-urea
Wiley ID 1402359