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

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ChEBI Name 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile ChEBI ID CHEBI:105133 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H11ClN2OS Net Charge 0 Average Mass 326.802 Monoisotopic Mass 326.02806 InChI InChI=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 InChIKey GUQMMLVVGSTAKM-UHFFFAOYSA-N SMILES C1=CC=C(C=C1)C(C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl ChEBI Ontology Outgoing 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile (CHEBI:105133) is a benzothiazoles (CHEBI:37947) Manual Xref Database LSM-16496 LINCS View more database links