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Pyridine-2,6-bis-(1-methylthio-1-phenylamino-3-oxo-prop-1-en-2-carbonitrile)
SpectraBase Compound ID E77fHQlUgJi
InChI InChI=1S/C27H21N5O2S2/c1-35-26(30-18-10-5-3-6-11-18)20(16-28)24(33)22-14-9-15-23(32-22)25(34)21(17-29)27(36-2)31-19-12-7-4-8-13-19/h3-15,30-31H,1-2H3/b26-20-,27-21-
InChIKey DENPLGCPJAGYFT-AQPNWFMJSA-N
Mol Weight 511.62 g/mol
Molecular Formula C27H21N5O2S2
Exact Mass 511.113667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlBYpwE9bAO
Name Pyridine-2,6-bis-(1-methylthio-1-phenylamino-3-oxo-prop-1-en-2-carbonitrile)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N5O2S2
InChI InChI=1S/C27H21N5O2S2/c1-35-26(30-18-10-5-3-6-11-18)20(16-28)24(33)22-14-9-15-23(32-22)25(34)21(17-29)27(36-2)31-19-12-7-4-8-13-19/h3-15,30-31H,1-2H3/b26-20-,27-21-
InChIKey DENPLGCPJAGYFT-AQPNWFMJSA-N
Molecular Weight 511.618 g/mol
SMILES N(\C(=C\(C(c1nc(C(\C(=C\(Nc2ccccc2)SC)C#N)=O)ccc1)=O)C#N)SC)c1ccccc1
SPLASH splash10-004i-9220420000-92ca566dbcb0376fc2dc
Source of Spectrum Y-50-1162-6
Synonyms (2Z,2'Z)-2,2'-(pyridine-2,6-dicarbonyl)bis(3-(methylthio)-3-(phenylamino)acrylonitrile)
Wiley ID 1736757