3-[2-(phenylmethylsulfanyl)phenyl]-1-azabicyclo[2.2.2]oct-2-ene

Systemtic Name: 3-[2-(phenylmethylsulfanyl)phenyl]-1-azabicyclo[2.2.2]oct-2-ene Openeye Name: 3-(2-benzylsulfanylphenyl)-1-azabicyclo[2.2.2]oct-2-ene CAS Name: 3-[2-(phenylmethylthio)phenyl]-1-azabicyclo[2.2.2]oct-2-ene IUPAC Name: 3-(2-benzylsulfanylphenyl)-1-azabicyclo[2.2.2]oct-2-ene Traditional Name: 3-[2-(benzylthio)phenyl]-1-azabicyclo[2.2.2]oct-2-ene Formula: C20H21NS MolecularWeight: 307.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=C2)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(=C2)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C20H21NS/c1-2-6-16(7-3-1)15-22-20-9-5-4-8-18(20)19-14-21-12-10-17(19)11-13-21/h1-9,14,17H,10-13,15H2