1,3-bis[[2-ethyl-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine bromide

Systemtic Name: 1,3-bis[[2-ethyl-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine bromide Openeye Name: 1,3-bis[[2-ethyl-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine bromide CAS Name: 1,3-bis[[[2-ethyl-6-(trifluoromethyl)phenyl]thio]methyl]-2H-benzimidazol-2-amine bromide IUPAC Name: 1,3-bis[[2-ethyl-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine bromide Traditional Name: [1,3-bis[[[2-ethyl-6-(trifluoromethyl)phenyl]thio]methyl]-2H-benzimidazol-2-yl]amine bromide Formula: C27H27BrF6N3S2- MolecularWeight: 651.547799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(F)(F)F)SCN2C(N(C3=CC=CC=C32)CSC4=C(C=CC=C4C(F)(F)F)CC)N.[Br-]

Isomeric SMILES

CCC1=C(C(=CC=C1)C(F)(F)F)SCN2C(N(C3=CC=CC=C32)CSC4=C(C=CC=C4C(F)(F)F)CC)N.[Br-]

InChI

InChI=1S/C27H27F6N3S2.BrH/c1-3-17-9-7-11-19(26(28,29)30)23(17)37-15-35-21-13-5-6-14-22(21)36(25(35)34)16-38-24-18(4-2)10-8-12-20(24)27(31,32)33;/h5-14,25H,3-4,15-16,34H2,1-2H3;1H/p-1