4-(5-bromanyl-6-phenoxy-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(5-bromanyl-6-phenoxy-pyridin-3-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[(5-bromo-6-phenoxy-3-pyridyl)sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[(5-bromo-6-phenoxy-3-pyridinyl)sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(5-bromo-6-phenoxypyridin-3-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[(5-bromo-6-phenoxy-3-pyridyl)sulfonyl]-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C19H15BrF3N3O5S3 MolecularWeight: 598.43371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)OC3=CC=CC=C3)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C(N=C2)OC3=CC=CC=C3)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H14BrN3O3S3.C2HF3O2/c1-25-17-14(8-13(26-17)15(19)20)27(22,23)11-7-12(18)16(21-9-11)24-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-9H,1H3,(H3,19,20);(H,6,7)