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

Systemtic Name: 1-(azepan-1-yl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(2-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(2-naphthyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3O2S/c25-19(24-12-5-1-2-6-13-24)11-14-27-21-23-22-20(26-21)18-10-9-16-7-3-4-8-17(16)15-18/h3-4,7-10,15H,1-2,5-6,11-14H2