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

Systemtic Name: 1-(azepan-1-yl)-3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C17H20BrN3O2S MolecularWeight: 410.3286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3O2S/c18-14-7-5-6-13(12-14)16-19-20-17(23-16)24-11-8-15(22)21-9-3-1-2-4-10-21/h5-7,12H,1-4,8-11H2