phthalazin-1-yl 3-azabicyclo[3.2.2]nonane-3-carbodithioate

Systemtic Name: phthalazin-1-yl 3-azabicyclo[3.2.2]nonane-3-carbodithioate Openeye Name: phthalazin-1-yl 3-azabicyclo[3.2.2]nonane-3-carbodithioate CAS Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid 1-phthalazinyl ester IUPAC Name: phthalazin-1-yl 3-azabicyclo[3.2.2]nonane-3-carbodithioate Traditional Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid phthalazin-1-yl ester Formula: C17H19N3S2 MolecularWeight: 329.48286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN(C2)C(=S)SC3=NN=CC4=CC=CC=C43

Isomeric SMILES

C1CC2CCC1CN(C2)C(=S)SC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C17H19N3S2/c21-17(20-10-12-5-6-13(11-20)8-7-12)22-16-15-4-2-1-3-14(15)9-18-19-16/h1-4,9,12-13H,5-8,10-11H2