5-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-4-(trifluoromethylthio)-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-4-(trifluoromethylthio)-1H-pyrrole-2-carboxylic acid Formula: C12H7ClF3NO2S MolecularWeight: 321.70269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(N2)C(=O)O)SC(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(N2)C(=O)O)SC(F)(F)F)Cl

InChI

InChI=1S/C12H7ClF3NO2S/c13-7-3-1-6(2-4-7)10-9(20-12(14,15)16)5-8(17-10)11(18)19/h1-5,17H,(H,18,19)