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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2OS/c1-18-15-26(27-24-12-8-7-11-22(18)24)30-17-25(29)23-16-19(2)28(20(23)3)14-13-21-9-5-4-6-10-21/h4-12,15-16H,13-14,17H2,1-3H3