3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-1H-indole-5-carbonitrile Openeye Name: 3-[[(3S)-quinuclidin-3-yl]methylsulfanyl]-1H-indole-5-carbonitrile CAS Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylthio]-1H-indole-5-carbonitrile IUPAC Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-1H-indole-5-carbonitrile Traditional Name: 3-[[(3S)-quinuclidin-3-yl]methylthio]-1H-indole-5-carbonitrile Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)CSC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

C1CN2CCC1[C@@H](C2)CSC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C17H19N3S/c18-8-12-1-2-16-15(7-12)17(9-19-16)21-11-14-10-20-5-3-13(14)4-6-20/h1-2,7,9,13-14,19H,3-6,10-11H2/t14-/m0/s1