1-morpholin-4-yl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-1-morpholino-ethanone Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)16-6-7-18-17(12-16)25-20(27(18)13-15-4-2-1-3-5-15)30-14-19(28)26-8-10-29-11-9-26/h1-7,12H,8-11,13-14H2