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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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