1,3-bis[(2-bromanyl-4-fluoranyl-phenyl)sulfanylmethyl]-4,6-bis(trifluoromethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1,3-bis[(2-bromanyl-4-fluoranyl-phenyl)sulfanylmethyl]-4,6-bis(trifluoromethyl)benzimidazol-3-ium-2-amine Openeye Name: 1,3-bis[(2-bromo-4-fluoro-phenyl)sulfanylmethyl]-4,6-bis(trifluoromethyl)benzimidazol-3-ium-2-amine CAS Name: 1,3-bis[[(2-bromo-4-fluorophenyl)thio]methyl]-4,6-bis(trifluoromethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1,3-bis[(2-bromo-4-fluorophenyl)sulfanylmethyl]-4,6-bis(trifluoromethyl)benzimidazol-3-ium-2-amine Traditional Name: [1,3-bis[[(2-bromo-4-fluoro-phenyl)thio]methyl]-4,6-bis(trifluoromethyl)benzimidazol-3-ium-2-yl]amine Formula: C23H14Br2F8N3S2+ MolecularWeight: 708.302586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)SCN2C3=CC(=CC(=C3[N+](=C2N)CSC4=C(C=C(C=C4)F)Br)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1F)Br)SCN2C3=CC(=CC(=C3[N+](=C2N)CSC4=C(C=C(C=C4)F)Br)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H13Br2F8N3S2/c24-15-7-12(26)1-3-18(15)37-9-35-17-6-11(22(28,29)30)5-14(23(31,32)33)20(17)36(21(35)34)10-38-19-4-2-13(27)8-16(19)25/h1-8,34H,9-10H2/p+1