2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole Openeye Name: 1-benzyl-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-[[(4S)-1,3-dioxan-4-yl]methylthio]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 1-benzyl-2-[[(4S)-1,3-dioxan-4-yl]methylsulfanyl]-5-(trifluoromethyl)benzimidazole Traditional Name: 1-benzyl-2-[[(4S)-1,3-dioxan-4-yl]methylthio]-5-(trifluoromethyl)benzimidazole Formula: C20H19F3N2O2S MolecularWeight: 408.43727

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCO[C@@H]1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O2S/c21-20(22,23)15-6-7-18-17(10-15)24-19(28-12-16-8-9-26-13-27-16)25(18)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1