2-pyrimidin-2-ylsulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-(2-pyrimidinylthio)-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-(2-pyrimidylthio)-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC=CC=N3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC=CC=N3)(C)C

InChI

InChI=1S/C18H19N3OS/c1-13-11-18(2,3)21(15-8-5-4-7-14(13)15)16(22)12-23-17-19-9-6-10-20-17/h4-11H,12H2,1-3H3