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

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-chlorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C25H23ClN2OS MolecularWeight: 434.98092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C25H23ClN2OS/c1-16-12-25(27-23-11-7-5-9-20(16)23)30-15-24(29)21-13-17(2)28(18(21)3)14-19-8-4-6-10-22(19)26/h4-13H,14-15H2,1-3H3