CHEBI:111253 - 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile

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ChEBI Name 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile ChEBI ID CHEBI:111253 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 C10H6ClN3OS Net Charge 0 Average Mass 251.694 Monoisotopic Mass 250.99201 InChI InChI=1S/C10H6ClN3OS/c11-7-3-1-2-4-8(7)13-10-6(5-12)9(15)14-16-10/h1-4,13H,(H,14,15) InChIKey DDSXGKISGSWSIE-UHFFFAOYSA-N SMILES C1=CC=C(C(=C1)NC2=C(C(=O)NS2)C#N)Cl Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile (CHEBI:111253) is a substituted aniline (CHEBI:48975) Manual Xref Database LSM-22709 LINCS View more database links