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

Systemtic Name: 3-[4-(3-methylbutylsulfanyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octane Openeye Name: 3-(4-isopentylsulfanyl-1H-pyrazol-5-yl)quinuclidine CAS Name: 3-[4-(3-methylbutylthio)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-[4-(3-methylbutylsulfanyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octane Traditional Name: 3-[4-(isoamylthio)-1H-pyrazol-5-yl]quinuclidine Formula: C15H25N3S MolecularWeight: 279.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(NN=C1)C2CN3CCC2CC3

Isomeric SMILES

CC(C)CCSC1=C(NN=C1)C2CN3CCC2CC3

InChI

InChI=1S/C15H25N3S/c1-11(2)5-8-19-14-9-16-17-15(14)13-10-18-6-3-12(13)4-7-18/h9,11-13H,3-8,10H2,1-2H3,(H,16,17)