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2-(3H-Benzothiazol-2-ylidene)-3-(4-benzoyl-phenyl)-3-oxo-propionitrile
SpectraBase Compound ID PbhKLmhwJV
InChI InChI=1S/C23H14N2O2S/c24-14-18(23-25-19-8-4-5-9-20(19)28-23)22(27)17-12-10-16(11-13-17)21(26)15-6-2-1-3-7-15/h1-13,25H/b23-18+
InChIKey HVRWUKFPWFLCOM-PTGBLXJZSA-N
Mol Weight 382.44 g/mol
Molecular Formula C23H14N2O2S
Exact Mass 382.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWcrRvhmI89
Name 2-(3H-Benzothiazol-2-ylidene)-3-(4-benzoyl-phenyl)-3-oxo-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14N2O2S
InChI InChI=1S/C23H14N2O2S/c24-14-18(23-25-19-8-4-5-9-20(19)28-23)22(27)17-12-10-16(11-13-17)21(26)15-6-2-1-3-7-15/h1-13,25H/b23-18+
InChIKey HVRWUKFPWFLCOM-PTGBLXJZSA-N
Molecular Weight 382.437 g/mol
SMILES N1c2ccccc2S\C1=C/(C(c1ccc(C(=O)c2ccccc2)cc1)=O)C#N
SPLASH splash10-0pe9-5943000000-0c88446a50be31a5b335
Synonyms (2E)-2-(1,3-Benzothiazol-2(3H)-ylidene)-3-(4-benzoylphenyl)-3-oxopropanenitrile (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-benzoylphenyl)-3-keto-propionitrile (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-benzoylphenyl)-3-oxo-propanenitrile (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-3-[4-(phenylcarbonyl)phenyl]propanenitrile
Wiley ID 1463018