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CHEBI:105133 - 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile

ChEBI IDCHEBI:105133
ChEBI Name2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
Stars
DownloadsMolfile
FormulaC17H11ClN2OS
Net Charge0
Average Mass326.808
Monoisotopic Mass326.02806
SMILESN#CC(C(=O)C(Cl)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C17H11ClN2OS/c18-15(11-6-2-1-3-7-11)16(21)12(10-19)17-20-13-8-4-5-9-14(13)22-17/h1-9,12,15H
InChIKeyGUQMMLVVGSTAKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile (CHEBI:105133) is a benzothiazoles (CHEBI:37947)
Manual XrefsDatabases
LSM-16496LINCS