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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C24H22N2OS MolecularWeight: 386.50928

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2OS/c1-16-13-24(25-22-12-8-7-11-20(16)22)28-15-23(27)21-14-17(2)26(18(21)3)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3