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

Systemtic Name: 1,3-bis[[2-ethoxy-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine Openeye Name: 1,3-bis[[2-ethoxy-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine CAS Name: 1,3-bis[[[2-ethoxy-6-(trifluoromethyl)phenyl]thio]methyl]-2H-benzimidazol-2-amine IUPAC Name: 1,3-bis[[2-ethoxy-6-(trifluoromethyl)phenyl]sulfanylmethyl]-2H-benzimidazol-2-amine Traditional Name: [1,3-bis[[[2-ethoxy-6-(trifluoromethyl)phenyl]thio]methyl]-2H-benzimidazol-2-yl]amine Formula: C27H27F6N3O2S2 MolecularWeight: 603.642599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1SCN2C(N(C3=CC=CC=C32)CSC4=C(C=CC=C4OCC)C(F)(F)F)N)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC(=C1SCN2C(N(C3=CC=CC=C32)CSC4=C(C=CC=C4OCC)C(F)(F)F)N)C(F)(F)F

InChI

InChI=1S/C27H27F6N3O2S2/c1-3-37-21-13-7-9-17(26(28,29)30)23(21)39-15-35-19-11-5-6-12-20(19)36(25(35)34)16-40-24-18(27(31,32)33)10-8-14-22(24)38-4-2/h5-14,25H,3-4,15-16,34H2,1-2H3