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

Systemtic Name: 2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-1-pyrrolidino-ethanone Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)16-8-9-18-17(12-16)25-20(27(18)13-15-6-2-1-3-7-15)29-14-19(28)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13-14H2