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CHEBI:82072 - Buthiobate

ChEBI IDCHEBI:82072
ChEBI NameButhiobate
Stars
DownloadsMolfile
FormulaC21H28N2S2
Net Charge0
Average Mass372.603
Monoisotopic Mass372.16939
SMILESCCCCS/C(=N\c1cccnc1)SCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/b23-20+
InChIKeyZZVVDIVWGXTDRQ-BSYVCWPDSA-N
ChEBI Ontology
Outgoing Relation(s)
Buthiobate (CHEBI:82072) is a alkylbenzene (CHEBI:38976)
Manual XrefsDatabases
C18930KEGG COMPOUND
Registry NumbersSources
CAS:51308-54-4KEGG COMPOUND