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

Systemtic Name: 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-14-11-21(2,3)25(17-9-5-4-8-16(14)17)18(26)13-28-20-24-23-19(27-20)15-7-6-10-22-12-15/h4-12H,13H2,1-3H3