2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-1-carbodithioate

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-1-carbodithioate Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-1-carbodithioate CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1-piperidinecarbodithioate IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]piperidine-1-carbodithioate Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]piperidine-1-carbodithioate Formula: C12H17N4O2S2- MolecularWeight: 313.41898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCC2CCCCN2C(=S)[S-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCC2CCCCN2C(=S)[S-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O2S2/c1-9-13-8-11(16(17)18)14(9)7-5-10-4-2-3-6-15(10)12(19)20/h8,10H,2-7H2,1H3,(H,19,20)/p-1