CHEBI:109842 - 2-amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile

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ChEBI Name 2-amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
ChEBI ID CHEBI:109842
Stars This entity has been manually annotated by a third party.
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Formula C19H19BrN4S
Net Charge 0
Average Mass 415.351
Monoisotopic Mass 414.05138
InChI InChI=1S/C19H19BrN4S/c20-14-6-4-13(5-7-14)12-25-18-16(11-22)19(8-2-1-3-9-19)15(10-21)17(23)24-18/h4-7,24H,1-3,8-9,12,23H2
InChIKey AHWXPMSTZOIWOT-UHFFFAOYSA-N
SMILES C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)Br)N)C#N
ChEBI Ontology
Outgoing 2-amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile (CHEBI:109842) is a organobromine compound (CHEBI:37141)
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