5-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylsulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylsulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethylsulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethylsulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethylsulfamoyl]-3-thenoic acid Formula: C13H10ClF3N2O4S3 MolecularWeight: 446.87271

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCCNS(=O)(=O)C2=CC(=CS2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCCNS(=O)(=O)C2=CC(=CS2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H10ClF3N2O4S3/c14-9-4-8(13(15,16)17)5-18-11(9)24-2-1-19-26(22,23)10-3-7(6-25-10)12(20)21/h3-6,19H,1-2H2,(H,20,21)