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

Systemtic Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C24H21BrN2OS MolecularWeight: 465.40534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C24H21BrN2OS/c1-15-12-24(26-22-7-5-4-6-20(15)22)29-14-23(28)21-13-16(2)27(17(21)3)19-10-8-18(25)9-11-19/h4-13H,14H2,1-3H3