1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C22H20BrN3OS MolecularWeight: 454.3827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C22H20BrN3OS/c1-14-12-18(15(2)26(14)17-10-8-16(23)9-11-17)21(27)13-28-22-24-19-6-4-5-7-20(19)25(22)3/h4-12H,13H2,1-3H3