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2-BENZYL-5-BENZYLCARBAMOYLIMINO-4-(PARA-NITROPHENYL)-1,2,4-THIADIAZOLIDIN-3-ONE
SpectraBase Compound ID HCjg4HDK1xL
InChI InChI=1S/C23H19N5O4S/c29-21(24-15-17-7-3-1-4-8-17)25-22-27(19-11-13-20(14-12-19)28(31)32)23(30)26(33-22)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,29)/b25-22-
InChIKey QPAOGLCPHPRCPP-LVWGJNHUSA-N
Mol Weight 461.5 g/mol
Molecular Formula C23H19N5O4S
Exact Mass 461.115775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFDQc0M68nV
Name (1Z)-1-[4-(4-nitrophenyl)-3-oxidanylidene-2-(phenylmethyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea
Alternate Name(s) (1Z)-1-[4-(4-nitrophenyl)-3-oxo-2-(phenylmethyl)-1,2,4-thiadiazolidin-5-ylidene]-3-(phenylmethyl)urea (3Z)-1-benzyl-3-[2-benzyl-3-keto-4-(4-nitrophenyl)-1,2,4-thiadiazolidin-5-ylidene]urea (3Z)-1-benzyl-3-[2-benzyl-4-(4-nitrophenyl)-3-oxo-1,2,4-thiadiazolidin-5-ylidene]urea
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Formula C23H19N5O4S
InChI InChI=1S/C23H19N5O4S/c29-21(24-15-17-7-3-1-4-8-17)25-22-27(19-11-13-20(14-12-19)28(31)32)23(30)26(33-22)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,29)/b25-22-
InChIKey QPAOGLCPHPRCPP-LVWGJNHUSA-N
Molecular Weight 461.496 g/mol
SMILES N(C(\N=C\1N(C(=O)N(S1)Cc1ccccc1)c1ccc(N(=O)=O)cc1)=O)Cc1ccccc1
SPLASH splash10-0006-9101000000-de671cbba7bfb65e0c1e
Source of Spectrum Y-28-1623-9
Wiley ID 1390751