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

Systemtic Name: 3-(4-phenethylsulfanyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane Openeye Name: 3-(4-phenethylsulfanyl-1H-pyrazol-5-yl)quinuclidine CAS Name: 3-[4-(phenethylthio)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-(4-phenethylsulfanyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]octane Traditional Name: 3-[4-(phenethylthio)-1H-pyrazol-5-yl]quinuclidine Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C3=C(C=NN3)SCCC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)C3=C(C=NN3)SCCC4=CC=CC=C4

InChI

InChI=1S/C18H23N3S/c1-2-4-14(5-3-1)8-11-22-17-12-19-20-18(17)16-13-21-9-6-15(16)7-10-21/h1-5,12,15-16H,6-11,13H2,(H,19,20)