1-(8-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(8-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(8-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(8-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(8-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(8-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N(C(C=C2C)(C)C)C(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CCOC1=CC=CC2=C1N(C(C=C2C)(C)C)C(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C21H25N3O2S/c1-6-26-17-9-7-8-16-14(2)12-21(4,5)24(19(16)17)18(25)13-27-20-22-11-10-15(3)23-20/h7-12H,6,13H2,1-5H3