1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(2-quinolylthio)ethanone Formula: C24H22N2OS MolecularWeight: 386.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

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