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CHEBI:228407 - 3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile

ChEBI IDCHEBI:228407
ChEBI Name3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17N3S
Net Charge0
Average Mass319.433
Monoisotopic Mass319.11432
SMILES[H][C@]1(c2nc3ccccc3s2)CCN(Cc2cccc(C#N)c2)C1
InChIInChI=1S/C19H17N3S/c20-11-14-4-3-5-15(10-14)12-22-9-8-16(13-22)19-21-17-6-1-2-7-18(17)23-19/h1-7,10,16H,8-9,12-13H2/t16-/m0/s1
InChIKeyPNLDYHAKWSLQLI-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-{[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile (CHEBI:228407) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
3-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
Manual XrefsDatabases
29849974ChemSpider