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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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