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CHEBI:194832 - 3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile

ChEBI IDCHEBI:194832
ChEBI Name3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile
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FormulaC13H15NO2S2
Net Charge0
Average Mass281.402
Monoisotopic Mass281.05442
SMILESCC1(C)CC(=O)c2c(SCCO)sc(C#N)c2C1
InChIInChI=1S/C13H15NO2S2/c1-13(2)5-8-10(7-14)18-12(17-4-3-15)11(8)9(16)6-13/h15H,3-6H2,1-2H3
InChIKeyCMWFCBOESGCWLQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile (CHEBI:194832) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
3-(2-hydroxyethylsulanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile
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