1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-19-17-22(20(2)28(19)15-16-31-3)25(30)18-32-26-27-23-11-7-8-12-24(23)29(26)14-13-21-9-5-4-6-10-21/h4-12,17H,13-16,18H2,1-3H3