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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C16H18BrN3O2S MolecularWeight: 396.30202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O2S/c17-13-7-5-12(6-8-13)15-18-19-16(22-15)23-11-14(21)20-9-3-1-2-4-10-20/h5-8H,1-4,9-11H2