5-(4-ethyl-2-methyl-piperazin-1-yl)-2-(2-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 5-(4-ethyl-2-methyl-piperazin-1-yl)-2-(2-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-(1,1-dimethylpropylsulfanyl)-5-(4-ethyl-2-methyl-piperazin-1-yl)-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 5-(4-ethyl-2-methyl-1-piperazinyl)-2-(2-methylbutan-2-ylthio)-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 5-(4-ethyl-2-methylpiperazin-1-yl)-2-(2-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-(tert-amylthio)-5-(4-ethyl-2-methyl-piperazino)-6-(trifluoromethyl)-1H-benzimidazole Formula: C20H29F3N4S MolecularWeight: 414.53127

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=C(N1)C=C(C(=C2)N3CCN(CC3C)CC)C(F)(F)F

Isomeric SMILES

CCC(C)(C)SC1=NC2=C(N1)C=C(C(=C2)N3CCN(CC3C)CC)C(F)(F)F

InChI

InChI=1S/C20H29F3N4S/c1-6-19(4,5)28-18-24-15-10-14(20(21,22)23)17(11-16(15)25-18)27-9-8-26(7-2)12-13(27)3/h10-11,13H,6-9,12H2,1-5H3,(H,24,25)