6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-butoxy-2-(trifluoromethyl)quinoline IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-butoxy-2-(trifluoromethyl)quinoline Formula: C22H20F3N3OS MolecularWeight: 431.47391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3OS/c1-2-3-10-29-19-12-20(22(23,24)25)26-16-9-8-14(11-15(16)19)13-30-21-27-17-6-4-5-7-18(17)28-21/h4-9,11-12H,2-3,10,13H2,1H3,(H,27,28)