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3-pyridinecarbonitrile, 2-[[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-
SpectraBase Compound ID 82Egd269e3P
InChI InChI=1S/C27H15ClF3N3OS2/c28-17-10-11-24-22(12-17)34(21-8-4-5-9-23(21)37-24)25(35)15-36-26-18(14-32)19(27(29,30)31)13-20(33-26)16-6-2-1-3-7-16/h1-13H,15H2
InChIKey FENRLBLCEYSOKO-UHFFFAOYSA-N
Mol Weight 554.01 g/mol
Molecular Formula C27H15ClF3N3OS2
Exact Mass 553.029717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kQ83H4MJ05
Name 2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
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Formula C27H15ClF3N3OS2
InChI InChI=1S/C27H15ClF3N3OS2/c28-17-10-11-24-22(12-17)34(21-8-4-5-9-23(21)37-24)25(35)15-36-26-18(14-32)19(27(29,30)31)13-20(33-26)16-6-2-1-3-7-16/h1-13H,15H2
InChIKey FENRLBLCEYSOKO-UHFFFAOYSA-N
Molecular Weight 554.005 g/mol
SMILES c1ccc(-c2nc(c(c(C(F)(F)F)c2)C#N)SCC(N2c3c(ccc(c3)Cl)Sc3c2cccc3)=O)cc1
SPLASH splash10-001i-2290000000-7931bf54b968994689ec
Synonyms 2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile 2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Wiley ID 1464036