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

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C23H23N3O2S/c1-4-11-25-21-10-6-5-9-20(21)24-23(25)29-15-22(27)19-13-16(2)26(17(19)3)14-18-8-7-12-28-18/h4-10,12-13H,1,11,14-15H2,2-3H3