2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone

Systemtic Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone Openeye Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4,6,7-pentamethyl-1-quinolyl)ethanone CAS Name: 2-[(4-methyl-2-pyrimidinyl)thio]-1-(2,2,4,6,7-pentamethyl-1-quinolinyl)ethanone IUPAC Name: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone Traditional Name: 2-[(4-methylpyrimidin-2-yl)thio]-1-(2,2,4,6,7-pentamethyl-1-quinolyl)ethanone Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-13-9-17-15(3)11-21(5,6)24(18(17)10-14(13)2)19(25)12-26-20-22-8-7-16(4)23-20/h7-11H,12H2,1-6H3