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

Systemtic Name: 1-(azepan-1-yl)-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(2-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=C1C2=NN=C(O2)SCCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(O2)SCCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-23-15-9-5-4-8-14(15)17-19-20-18(24-17)25-13-10-16(22)21-11-6-2-3-7-12-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3