4-(7-bromanyl-3-prop-2-enyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(7-bromanyl-3-prop-2-enyl-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(3-allyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[(7-bromo-3-prop-2-enyl-5-benzimidazolyl)sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(7-bromo-3-prop-2-enylbenzimidazol-5-yl)sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(3-allyl-7-bromo-benzimidazol-5-yl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C18H16BrF3N4O4S3 MolecularWeight: 585.43825

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(=C3C(=C2)N(C=N3)CC=C)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(C=N3)CC=C)Br.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H15BrN4O2S3.C2HF3O2/c1-3-4-21-8-20-14-10(17)5-9(6-11(14)21)26(22,23)13-7-12(15(18)19)25-16(13)24-2;3-2(4,5)1(6)7/h3,5-8H,1,4H2,2H3,(H3,18,19);(H,6,7)