3-(4-hexylsulfanyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane

Systemtic Name: 3-(4-hexylsulfanyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane Openeye Name: 3-(4-hexylsulfanyl-1H-pyrazol-5-yl)quinuclidine CAS Name: 3-[4-(hexylthio)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-(4-hexylsulfanyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane Traditional Name: 3-[4-(hexylthio)-1H-pyrazol-5-yl]quinuclidine Formula: C16H27N3S MolecularWeight: 293.47068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(NN=C1)C2CN3CCC2CC3

Isomeric SMILES

CCCCCCSC1=C(NN=C1)C2CN3CCC2CC3

InChI

InChI=1S/C16H27N3S/c1-2-3-4-5-10-20-15-11-17-18-16(15)14-12-19-8-6-13(14)7-9-19/h11,13-14H,2-10,12H2,1H3,(H,17,18)