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

Systemtic Name: 1-[1-(3-fluorophenyl)-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-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-1-[1-(3-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C24H22FN3OS MolecularWeight: 419.514383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C24H22FN3OS/c1-4-12-27-22-11-6-5-10-21(22)26-24(27)30-15-23(29)20-13-16(2)28(17(20)3)19-9-7-8-18(25)14-19/h4-11,13-14H,1,12,15H2,2-3H3