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2,6-Bis-(4-cyano-5-(phenylamino)-2-acetylthiophen-3-yl)pyridine
SpectraBase Compound ID KCwaheRSans
InChI InChI=1S/C31H21N5O2S2/c1-18(37)28-26(22(16-32)30(39-28)34-20-10-5-3-6-11-20)24-14-9-15-25(36-24)27-23(17-33)31(40-29(27)19(2)38)35-21-12-7-4-8-13-21/h3-15,34-35H,1-2H3
InChIKey RJHZGWJYSHMAOC-UHFFFAOYSA-N
Mol Weight 559.66 g/mol
Molecular Formula C31H21N5O2S2
Exact Mass 559.113667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I07wbMg1Bph
Name 2,6-Bis-(4-cyano-5-(phenylamino)-2-acetylthiophen-3-yl)pyridine
Alternate Name(s) 4,4'-(pyridine-2,6-diyl)bis(5-acetyl-2-(phenylamino)thiophene-3-carbonitrile) 5-Acetyl-4-[6-(2-acetyl-5-anilino-4-cyano-3-thiophenyl)-2-pyridinyl]-2-anilino-3-thiophenecarbonitrile 5-Acetyl-4-[6-(2-acetyl-5-anilino-4-cyanothiophen-3-yl)pyridin-2-yl]-2-anilinothiophene-3-carbonitrile 4-[6-(4-cyano-2-ethanoyl-5-phenylazanyl-thiophen-3-yl)pyridin-2-yl]-5-ethanoyl-2-phenylazanyl-thiophene-3-carbonitrile
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Formula C31H21N5O2S2
InChI InChI=1S/C31H21N5O2S2/c1-18(37)28-26(22(16-32)30(39-28)34-20-10-5-3-6-11-20)24-14-9-15-25(36-24)27-23(17-33)31(40-29(27)19(2)38)35-21-12-7-4-8-13-21/h3-15,34-35H,1-2H3
InChIKey RJHZGWJYSHMAOC-UHFFFAOYSA-N
Molecular Weight 559.662 g/mol
SMILES N(c1c(c(-c2nc(-c3c(c(sc3C(=O)C)Nc3ccccc3)C#N)ccc2)c(s1)C(=O)C)C#N)c1ccccc1
SPLASH splash10-004i-9431000000-465de576e8d8b42c4f4b
Source of Spectrum Y-50-1162-11
Wiley ID 1736755