2-(4-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(4-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-cyanophenyl)-4-(trifluoromethyl)thiazole-5-carboxylic acid CAS Name: 2-(4-cyanophenyl)-4-(trifluoromethyl)-5-thiazolecarboxylic acid IUPAC Name: 2-(4-cyanophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(4-cyanophenyl)-4-(trifluoromethyl)thiazole-5-carboxylic acid Formula: C12H5F3N2O2S MolecularWeight: 298.24051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=C(S2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=C(S2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H5F3N2O2S/c13-12(14,15)9-8(11(18)19)20-10(17-9)7-3-1-6(5-16)2-4-7/h1-4H,(H,18,19)