CHEBI:108559 - 2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide
ChEBI ID CHEBI:108559
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H16N2OS
Net Charge 0
Average Mass 308.399
Monoisotopic Mass 308.09833
InChI InChI=1S/C18H16N2OS/c1-13-4-3-5-16(10-13)20-18(21)15(12-19)11-14-6-8-17(22-2)9-7-14/h3-11H,1-2H3,(H,20,21)
InChIKey YYQVQZHCKQIBBF-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N
ChEBI Ontology
Outgoing 2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide (CHEBI:108559) is a cinnamamides (CHEBI:23247)
2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide (CHEBI:108559) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-19933 LINCS
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Last Modified
07 March 2018