1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C20H20N2O2S/c1-11-9-18(22-16-8-6-5-7-15(11)16)25-10-17(24)20-12(2)19(14(4)23)13(3)21-20/h5-9,21H,10H2,1-4H3