1-[2,2-dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinolin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NN=C(O3)C4=CC=CC=C4

InChI

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