CHEBI:94280 - 1-(diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

ChEBI IDCHEBI:94280
ChEBI Name1-(diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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FormulaC21H24N2OS2
Net Charge0
Average Mass384.570
Monoisotopic Mass384.13301
SMILESCCN(CC)c1c(C#N)c(SCC(=O)c2cccs2)cc2c1CCCC2
InChIInChI=1S/C21H24N2OS2/c1-3-23(4-2)21-16-9-6-5-8-15(16)12-20(17(21)13-22)26-14-18(24)19-10-7-11-25-19/h7,10-12H,3-6,8-9,14H2,1-2H3
InChIKeyOWUGRTFMDNGWSS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CHEBI:94280) is a tetralins (CHEBI:36786)
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LSM-4907LINCS