3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid

Systemtic Name: 3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid Openeye Name: 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid CAS Name: 3-(5-chloro-3-pyridinyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid IUPAC Name: 3-(5-chloropyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid Traditional Name: 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid Formula: C14H14ClN3S2 MolecularWeight: 323.86406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C(=S)S)(C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

C1CC2CC(CC1N2C(=S)S)(C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C14H14ClN3S2/c15-10-3-9(6-17-7-10)14(8-16)4-11-1-2-12(5-14)18(11)13(19)20/h3,6-7,11-12H,1-2,4-5H2,(H,19,20)