(6-nitro-1,3-benzothiazol-2-yl) 3-azabicyclo[3.2.2]nonane-3-carbodithioate

Systemtic Name: (6-nitro-1,3-benzothiazol-2-yl) 3-azabicyclo[3.2.2]nonane-3-carbodithioate Openeye Name: (6-nitro-1,3-benzothiazol-2-yl) 3-azabicyclo[3.2.2]nonane-3-carbodithioate CAS Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid (6-nitro-1,3-benzothiazol-2-yl) ester IUPAC Name: (6-nitro-1,3-benzothiazol-2-yl) 3-azabicyclo[3.2.2]nonane-3-carbodithioate Traditional Name: 3-azabicyclo[3.2.2]nonane-3-carbodithioic acid (6-nitro-1,3-benzothiazol-2-yl) ester Formula: C16H17N3O2S3 MolecularWeight: 379.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN(C2)C(=S)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2CCC1CN(C2)C(=S)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O2S3/c20-19(21)12-5-6-13-14(7-12)23-15(17-13)24-16(22)18-8-10-1-2-11(9-18)4-3-10/h5-7,10-11H,1-4,8-9H2