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2-(3-benzoyl-2-ethylsulfanyl-1,6-diphenyl-4-pyridylidene)propanedinitrile
SpectraBase Compound ID DWW5ofw65aN
InChI InChI=1S/C29H21N3OS/c1-2-34-29-27(28(33)22-14-8-4-9-15-22)25(23(19-30)20-31)18-26(21-12-6-3-7-13-21)32(29)24-16-10-5-11-17-24/h3-18H,2H2,1H3
InChIKey MBCOLFBRNHPWSB-UHFFFAOYSA-N
Mol Weight 459.57 g/mol
Molecular Formula C29H21N3OS
Exact Mass 459.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXXn2IRRm3E
Name 2-(3-benzoyl-2-ethylsulfanyl-1,6-diphenyl-4-pyridylidene)propanedinitrile
Alternate Name(s) 2-(3-benzoyl-2-ethylsulfanyl-1,6-diphenylpyridin-4-ylidene)propanedinitrile 2-[2-ethylsulfanyl-1,6-diphenyl-3-(phenylcarbonyl)pyridin-4-ylidene]propanedinitrile 2-[3-benzoyl-2-(ethylthio)-1,6-diphenyl-4-pyridinylidene]propanedinitrile 2-[3-benzoyl-2-(ethylthio)-1,6-diphenyl-4-pyridylidene]malononitrile
CAS Registry Number 120105-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21N3OS
InChI InChI=1S/C29H21N3OS/c1-2-34-29-27(28(33)22-14-8-4-9-15-22)25(23(19-30)20-31)18-26(21-12-6-3-7-13-21)32(29)24-16-10-5-11-17-24/h3-18H,2H2,1H3
InChIKey MBCOLFBRNHPWSB-UHFFFAOYSA-N
Molecular Weight 459.567 g/mol
SMILES C1(=C(N(c2ccccc2)C(=CC1=C(C#N)C#N)c1ccccc1)SCC)C(=O)c1ccccc1
SPLASH splash10-0a4i-1100900000-75448b16792c578de182
Source of Spectrum Y-25-1133-9
Wiley ID 1390274