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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S/c21-16(20-10-6-1-2-7-11-20)13-24-17-19-18-15(23-17)12-22-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2