2-methyl-5-phenyl-1-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-5-phenyl-1-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyrrole-3-carboxylic acid Openeye Name: 2-methyl-5-phenyl-1-[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethyl]pyrrole-3-carboxylic acid CAS Name: 2-methyl-5-phenyl-1-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-5-phenyl-1-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]pyrrole-3-carboxylic acid Traditional Name: 2-methyl-5-phenyl-1-[2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethyl]pyrrole-3-carboxylic acid Formula: C24H19F3N2O2S MolecularWeight: 456.48007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCSC2=CC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19F3N2O2S/c1-15-18(23(30)31)13-20(16-7-3-2-4-8-16)29(15)11-12-32-21-14-22(24(25,26)27)28-19-10-6-5-9-17(19)21/h2-10,13-14H,11-12H2,1H3,(H,30,31)