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3-pyridinecarbonitrile, 2-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]thio]-6-phenyl-4-(trifluoromethyl)-
SpectraBase Compound ID EMK9MFPPI8x
InChI InChI=1S/C27H16F3N3OS2/c28-27(29,30)19-14-20(17-8-2-1-3-9-17)32-26(18(19)15-31)35-16-25(34)33-21-10-4-6-12-23(21)36-24-13-7-5-11-22(24)33/h1-14H,16H2
InChIKey MFEMGTBZQQHUDY-UHFFFAOYSA-N
Mol Weight 519.56 g/mol
Molecular Formula C27H16F3N3OS2
Exact Mass 519.068689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ihDrvm6vTp
Name 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
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Formula C27H16F3N3OS2
InChI InChI=1S/C27H16F3N3OS2/c28-27(29,30)19-14-20(17-8-2-1-3-9-17)32-26(18(19)15-31)35-16-25(34)33-21-10-4-6-12-23(21)36-24-13-7-5-11-22(24)33/h1-14H,16H2
InChIKey MFEMGTBZQQHUDY-UHFFFAOYSA-N
Molecular Weight 519.560 g/mol
SMILES c1ccc(-c2nc(c(c(C(F)(F)F)c2)C#N)SCC(N2c3c(cccc3)Sc3c2cccc3)=O)cc1
SPLASH splash10-0002-1930000000-ec75840582dcf3f92ea1
Synonyms 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile 2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Wiley ID 1455097