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

Systemtic Name: 1-(azepan-1-yl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(O2)SCCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(O2)SCCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-23-15-8-6-7-14(13-15)17-19-20-18(24-17)25-12-9-16(22)21-10-4-2-3-5-11-21/h6-8,13H,2-5,9-12H2,1H3