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CHEBI:93041 - 3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile

ChEBI IDCHEBI:93041
ChEBI Name3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile
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FormulaC18H24N2OS
Net Charge0
Average Mass316.470
Monoisotopic Mass316.16093
SMILESCC(C)(C)C1=CC(=CC(C#N)=C(N)S)C=C(C(C)(C)C)C1=O
InChIInChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,22H,20H2,1-6H3
InChIKeyLCUMYVYIHXYBIA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-amino-2-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-2-propenenitrile (CHEBI:93041) is a monoterpenoid (CHEBI:25409)
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