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

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c1-20-17-24(21(2)31(20)18-23-11-8-16-33-23)27(32)19-34-28-29-25-12-6-7-13-26(25)30(28)15-14-22-9-4-3-5-10-22/h3-13,16-17H,14-15,18-19H2,1-2H3