2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C22H21N3O2S/c1-15-13-22(2,3)25(18-12-8-7-11-17(15)18)19(26)14-28-21-24-23-20(27-21)16-9-5-4-6-10-16/h4-13H,14H2,1-3H3