(2S)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylcyclohexan-1-one

Systemtic Name: (2S)-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylcyclohexan-1-one Openeye Name: (2S)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylcyclohexanone CAS Name: (2S)-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylcyclohexan-1-one Traditional Name: (2S)-2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]cyclohexanone Formula: C21H19F3N2OS MolecularWeight: 404.44857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2OS/c22-21(23,24)15-10-11-17-16(12-15)25-20(28-19-9-5-4-8-18(19)27)26(17)13-14-6-2-1-3-7-14/h1-3,6-7,10-12,19H,4-5,8-9,13H2/t19-/m0/s1