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5-BENZYLCARBAMOYLIMINO-2-(PARA-NITROPHENYL)-4-PHENYL-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID 2tRDQIOEsKi
InChI InChI=1S/C22H17N5O4S/c28-20(23-15-16-7-3-1-4-8-16)24-21-25(17-9-5-2-6-10-17)22(29)26(32-21)18-11-13-19(14-12-18)27(30)31/h1-14H,15H2,(H,23,28)/b24-21-
InChIKey PJGFRGVMWSOTCC-FLFQWRMESA-N
Mol Weight 447.47 g/mol
Molecular Formula C22H17N5O4S
Exact Mass 447.100125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24r3AoLyZUh
Name (1Z)-1-[2-(4-nitrophenyl)-3-oxidanylidene-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea
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Formula C22H17N5O4S
InChI InChI=1S/C22H17N5O4S/c28-20(23-15-16-7-3-1-4-8-16)24-21-25(17-9-5-2-6-10-17)22(29)26(32-21)18-11-13-19(14-12-18)27(30)31/h1-14H,15H2,(H,23,28)/b24-21-
InChIKey PJGFRGVMWSOTCC-FLFQWRMESA-N
Molecular Weight 447.469 g/mol
SMILES N(C(\N=C\1N(C(N(S1)c1ccc(N(=O)=O)cc1)=O)c1ccccc1)=O)Cc1ccccc1
SPLASH splash10-0006-9430000000-b7eee40a1a49fdbb8c2a
Source of Spectrum Y-28-1622-9
Synonyms (1Z)-1-[2-(4-nitrophenyl)-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea (3Z)-1-benzyl-3-[2-(4-nitrophenyl)-3-oxo-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]urea (3Z)-1-benzyl-3-[3-keto-2-(4-nitrophenyl)-4-phenyl-1,2,4-thiadiazolidin-5-ylidene]urea
Wiley ID 1386898