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CHEBI:94961 - 2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile

Default Structure
ChEBI IDCHEBI:94961
ChEBI Name2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile
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DownloadsMolfile
FormulaC13H13NO2S2
Net Charge0
Average Mass279.386
Monoisotopic Mass279.03877
SMILESCOc1cccc(C(=O)C(C#N)=C(SC)SC)c1
InChIInChI=1S/C13H13NO2S2/c1-16-10-6-4-5-9(7-10)12(15)11(8-14)13(17-2)18-3/h4-7H,1-3H3
InChIKeyFDWJVAMEZPQFCN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-methoxyphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenenitrile (CHEBI:94961) is a carbonyl compound (CHEBI:36586)
Manual XrefsDatabases
LSM-6180LINCS