1-(azepan-1-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O2S/c1-13-7-6-8-14(11-13)16-18-19-17(22-16)23-12-15(21)20-9-4-2-3-5-10-20/h6-8,11H,2-5,9-10,12H2,1H3