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

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline Openeye Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-isopropoxy-2-(trifluoromethyl)quinoline CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-propan-2-yloxy-2-(trifluoromethyl)quinoline IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-isopropoxy-2-(trifluoromethyl)quinoline Formula: C21H18F3N3OS MolecularWeight: 417.44733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3OS/c1-12(2)28-18-10-19(21(22,23)24)25-15-8-7-13(9-14(15)18)11-29-20-26-16-5-3-4-6-17(16)27-20/h3-10,12H,11H2,1-2H3,(H,26,27)