3,3-dimethyl-1-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-butan-2-one Openeye Name: 1-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]-2-butanone IUPAC Name: 1-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C21H21F3N2OS MolecularWeight: 406.46445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H21F3N2OS/c1-20(2,3)18(27)13-28-19-25-16-11-15(21(22,23)24)9-10-17(16)26(19)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3