methyl 3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioate

Systemtic Name: methyl 3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioate Openeye Name: methyl 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioate CAS Name: 3-(5-chloro-3-pyridinyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid methyl ester IUPAC Name: methyl 3-(5-chloropyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioate Traditional Name: 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]octane-8-carbodithioic acid methyl ester Formula: C15H16ClN3S2 MolecularWeight: 337.89064

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

CSC(=S)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C15H16ClN3S2/c1-21-14(20)19-12-2-3-13(19)6-15(5-12,9-17)10-4-11(16)8-18-7-10/h4,7-8,12-13H,2-3,5-6H2,1H3