4-(5-bromanylpyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(5-bromanylpyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[(5-bromo-3-pyridyl)sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[(5-bromo-3-pyridinyl)sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(5-bromopyridin-3-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[(5-bromo-3-pyridyl)sulfonyl]-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C13H11BrF3N3O4S3 MolecularWeight: 506.33835

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=CN=C2)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=CN=C2)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C11H10BrN3O2S3.C2HF3O2/c1-18-11-9(3-8(19-11)10(13)14)20(16,17)7-2-6(12)4-15-5-7;3-2(4,5)1(6)7/h2-5H,1H3,(H3,13,14);(H,6,7)