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CHEBI:230438 - Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-

Default Structure
ChEBI IDCHEBI:230438
ChEBI NameBenzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N3S
Net Charge0
Average Mass283.400
Monoisotopic Mass283.11432
SMILESCN(C)Cc1ccccc1Sc1ccc(C#N)cc1N
InChIInChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
InChIKeyUVWLEPXXYOYDGR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)- (CHEBI:230438) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulanylbenzonitrile
Manual XrefsDatabases
8621986ChemSpider
HMDB0259640HMDB