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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H23N3O2S/c1-13-7-8-15(11-14(13)2)17-19-20-18(23-17)24-12-16(22)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3