2-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[1-cyclopropyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[1-cyclopropyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C22H20F3N3OS MolecularWeight: 431.47391

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H20F3N3OS/c23-22(24,25)16-5-8-19-18(11-16)26-21(28(19)17-6-7-17)30-13-20(29)27-10-9-14-3-1-2-4-15(14)12-27/h1-5,8,11,17H,6-7,9-10,12-13H2