CHEBI:105313 - 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

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ChEBI Name 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile ChEBI ID CHEBI:105313 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H19BrN4OS Net Charge 0 Average Mass 443.361 Monoisotopic Mass 442.04629 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 SMILES C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N ChEBI Ontology Outgoing 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CHEBI:105313) is a aromatic ketone (CHEBI:76224) Manual Xref Database LSM-16676 LINCS View more database links