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

Systemtic Name: 1-(azepan-1-yl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCSC2=NN=C(O2)C3=CC=CC=N3

InChI

InChI=1S/C16H20N4O2S/c21-14(20-10-5-1-2-6-11-20)8-12-23-16-19-18-15(22-16)13-7-3-4-9-17-13/h3-4,7,9H,1-2,5-6,8,10-12H2