4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]thiazole-2-carboxylic acid CAS Name: 4-[[[3-(trifluoromethyl)phenyl]thio]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[[3-(trifluoromethyl)phenyl]thio]methyl]thiazole-2-carboxylic acid Formula: C12H8F3NO2S2 MolecularWeight: 319.32263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC2=CSC(=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC2=CSC(=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H8F3NO2S2/c13-12(14,15)7-2-1-3-9(4-7)19-5-8-6-20-10(16-8)11(17)18/h1-4,6H,5H2,(H,17,18)