4-(7-bromanyl-1-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(7-bromanyl-1-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(7-bromo-1-phenyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[(7-bromo-1-phenyl-5-benzimidazolyl)sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(7-bromo-1-phenylbenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(7-bromo-1-phenyl-benzimidazol-5-yl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C21H16BrF3N4O4S3 MolecularWeight: 621.47035

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N=CN3C4=CC=CC=C4)Br.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N=CN3C4=CC=CC=C4)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H15BrN4O2S3.C2HF3O2/c1-27-19-16(9-15(28-19)18(21)22)29(25,26)12-7-13(20)17-14(8-12)23-10-24(17)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-10H,1H3,(H3,21,22);(H,6,7)