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(5Z)-5-[(2-mercaptoanilino)methylene]-1-[3-(trifluoromethyl)phenyl]barbituric acid
SpectraBase Compound ID 4TvUS2zxbPC
InChI InChI=1S/C18H12F3N3O3S/c19-18(20,21)10-4-3-5-11(8-10)24-16(26)12(15(25)23-17(24)27)9-22-13-6-1-2-7-14(13)28/h1-9,22,28H,(H,23,25,27)/b12-9-
InChIKey LAHUPCLPEAIUKU-XFXZXTDPSA-N
Mol Weight 407.37 g/mol
Molecular Formula C18H12F3N3O3S
Exact Mass 407.055147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tBrb8qevOV
Name (5Z)-5-[(2-mercaptoanilino)methylene]-1-[3-(trifluoromethyl)phenyl]barbituric acid
Alternate Name(s) (5Z)-5-[(2-mercaptoanilino)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione (5Z)-5-[(2-sulfanylanilino)methylene]-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-2,4,6-trione (5Z)-5-[(2-sulfanylanilino)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione (5Z)-5-[[(2-sulfanylphenyl)amino]methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
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Formula C18H12F3N3O3S
InChI InChI=1S/C18H12F3N3O3S/c19-18(20,21)10-4-3-5-11(8-10)24-16(26)12(15(25)23-17(24)27)9-22-13-6-1-2-7-14(13)28/h1-9,22,28H,(H,23,25,27)/b12-9-
InChIKey LAHUPCLPEAIUKU-XFXZXTDPSA-N
Molecular Weight 407.367 g/mol
SMILES N(\C=C/1C(N(C(NC1=O)=O)c1cc(C(F)(F)F)ccc1)=O)c1c(cccc1)S
SPLASH splash10-000i-9810000000-be056d4fda5c829e91d7
Wiley ID 1442961