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Chemistry, part 2

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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

Preferred term

2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H19BrN4OS

inchi

  • InChI=1S/C20H19BrN4OS/c21-14-6-4-13(5-7-14)17(26)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)25-19/h4-7,25H,1-3,8-9,12,24H2

inchikey

  • LNGPKGVQSMWPND-UHFFFAOYSA-N

mass

  • 443.361

monoisotopicmass

  • 442.04629

smiles

  • C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105313

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