3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[(4-cyano-3-oxidanylidene-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(4-cyano-3-oxo-isothiazol-5-yl)amino]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(4-cyano-3-oxo-5-isothiazolyl)amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[(4-cyano-3-keto-4-isothiazolin-5-yl)amino]-5-(trifluoromethyl)benzoic acid Formula: C12H6F3N3O3S MolecularWeight: 329.25455

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC2=C(C(=O)NS2)C#N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC2=C(C(=O)NS2)C#N)C(=O)O

InChI

InChI=1S/C12H6F3N3O3S/c13-12(14,15)6-1-5(11(20)21)2-7(3-6)17-10-8(4-16)9(19)18-22-10/h1-3,17H,(H,18,19)(H,20,21)