2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4O3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4O3)(C)C

InChI

InChI=1S/C21H20N2O2S/c1-14-12-21(2,3)23(17-10-6-4-8-15(14)17)19(24)13-26-20-22-16-9-5-7-11-18(16)25-20/h4-12H,13H2,1-3H3