6-(1-ethylpyrrolidin-3-yl)oxy-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazole

Systemtic Name: 6-(1-ethylpyrrolidin-3-yl)oxy-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazole Openeye Name: 2-(1,1-dimethylpropylsulfanyl)-6-(1-ethylpyrrolidin-3-yl)oxy-1H-benzimidazole CAS Name: 6-[(1-ethyl-3-pyrrolidinyl)oxy]-2-(2-methylbutan-2-ylthio)-1H-benzimidazole IUPAC Name: 6-(1-ethylpyrrolidin-3-yl)oxy-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazole Traditional Name: 2-(tert-amylthio)-6-(1-ethylpyrrolidin-3-yl)oxy-1H-benzimidazole Formula: C18H27N3OS MolecularWeight: 333.49148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=C(N1)C=C(C=C2)OC3CCN(C3)CC

Isomeric SMILES

CCC(C)(C)SC1=NC2=C(N1)C=C(C=C2)OC3CCN(C3)CC

InChI

InChI=1S/C18H27N3OS/c1-5-18(3,4)23-17-19-15-8-7-13(11-16(15)20-17)22-14-9-10-21(6-2)12-14/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,20)