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

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

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c22-17(21-11-6-1-2-7-12-21)10-13-25-18-20-19-16(24-18)14-23-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14H2