3-(5-bromanylpyridin-3-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(5-bromo-3-pyridyl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(5-bromo-3-pyridinyl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(5-bromopyridin-3-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(5-bromo-3-pyridyl)-8-methyl-6-(4-thioformylphenoxy)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CC(C1CC(C2)(C#N)C3=CC(=CN=C3)Br)OC4=CC=C(C=C4)C=S

Isomeric SMILES

CN1C2CC(C1CC(C2)(C#N)C3=CC(=CN=C3)Br)OC4=CC=C(C=C4)C=S

InChI

InChI=1S/C21H20BrN3OS/c1-25-17-7-20(26-18-4-2-14(12-27)3-5-18)19(25)9-21(8-17,13-23)15-6-16(22)11-24-10-15/h2-6,10-12,17,19-20H,7-9H2,1H3