2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole Openeye Name: 1-benzyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole Traditional Name: 1-benzyl-2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(trifluoromethyl)benzimidazole Formula: C28H29F3N2S MolecularWeight: 482.60347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F)C)C(C)(C)C

InChI

InChI=1S/C28H29F3N2S/c1-18-13-22(27(3,4)5)14-19(2)23(18)17-34-26-32-24-15-21(28(29,30)31)11-12-25(24)33(26)16-20-9-7-6-8-10-20/h6-15H,16-17H2,1-5H3