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2-(3-benzoyl-2-methylsulfanyl-1,6-diphenyl-4-pyridylidene)propanedinitrile
SpectraBase Compound ID II73dbIjOJN
InChI InChI=1S/C28H19N3OS/c1-33-28-26(27(32)21-13-7-3-8-14-21)24(22(18-29)19-30)17-25(20-11-5-2-6-12-20)31(28)23-15-9-4-10-16-23/h2-17H,1H3
InChIKey HXEAUAROHVNAKS-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C28H19N3OS
Exact Mass 445.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cwgmUB7LIk
Name 2-(3-benzoyl-2-methylsulfanyl-1,6-diphenyl-4-pyridylidene)propanedinitrile
CAS Registry Number 120105-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19N3OS
InChI InChI=1S/C28H19N3OS/c1-33-28-26(27(32)21-13-7-3-8-14-21)24(22(18-29)19-30)17-25(20-11-5-2-6-12-20)31(28)23-15-9-4-10-16-23/h2-17H,1H3
InChIKey HXEAUAROHVNAKS-UHFFFAOYSA-N
Molecular Weight 445.540 g/mol
SMILES C1(=C(N(c2ccccc2)C(=CC1=C(C#N)C#N)c1ccccc1)SC)C(=O)c1ccccc1
SPLASH splash10-002b-4100900000-4499f9b65e22b8cb9aa8
Source of Spectrum Y-25-1134-9
Synonyms 2-(3-benzoyl-2-methylsulfanyl-1,6-diphenylpyridin-4-ylidene)propanedinitrile 2-[2-methylsulfanyl-1,6-diphenyl-3-(phenylcarbonyl)pyridin-4-ylidene]propanedinitrile 2-[3-benzoyl-2-(methylthio)-1,6-diphenyl-4-pyridinylidene]propanedinitrile 2-[3-benzoyl-2-(methylthio)-1,6-diphenyl-4-pyridylidene]malononitrile
Wiley ID 1386395