1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C25H26ClN3OS MolecularWeight: 452.01144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3OS/c1-17-13-14-27-23(28-17)31-15-22(30)29-21-8-6-5-7-20(21)25(4,16-24(29,2)3)18-9-11-19(26)12-10-18/h5-14H,15-16H2,1-4H3