1-[4-(trifluoromethylsulfanyl)phenyl]imidazole-4-carboxylic acid

Systemtic Name: 1-[4-(trifluoromethylsulfanyl)phenyl]imidazole-4-carboxylic acid Openeye Name: 1-[4-(trifluoromethylsulfanyl)phenyl]imidazole-4-carboxylic acid CAS Name: 1-[4-(trifluoromethylthio)phenyl]-4-imidazolecarboxylic acid IUPAC Name: 1-[4-(trifluoromethylsulfanyl)phenyl]imidazole-4-carboxylic acid Traditional Name: 1-[4-(trifluoromethylthio)phenyl]imidazole-4-carboxylic acid Formula: C11H7F3N2O2S MolecularWeight: 288.24569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(N=C2)C(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C=C(N=C2)C(=O)O)SC(F)(F)F

InChI

InChI=1S/C11H7F3N2O2S/c12-11(13,14)19-8-3-1-7(2-4-8)16-5-9(10(17)18)15-6-16/h1-6H,(H,17,18)