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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-20(2,3)16-10-8-15(9-11-16)18-21-22-19(25-18)26-14-17(24)23-12-6-4-5-7-13-23/h8-11H,4-7,12-14H2,1-3H3