4-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrrole-2-carboxylic acid Formula: C12H8F3NO2S MolecularWeight: 287.25763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CNC(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CNC(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H8F3NO2S/c13-12(14,15)7-2-1-3-8(4-7)19-9-5-10(11(17)18)16-6-9/h1-6,16H,(H,17,18)