bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarbodithioate

Systemtic Name: bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarbodithioate Openeye Name: bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarbodithioate CAS Name: piperazine-1,4-dicarbodithioic acid bis[(1-methyl-5-nitro-2-imidazolyl)methyl] ester IUPAC Name: bis[(1-methyl-5-nitroimidazol-2-yl)methyl] piperazine-1,4-dicarbodithioate Traditional Name: piperazine-1,4-dicarbodithioic acid bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] ester Formula: C16H20N8O4S4 MolecularWeight: 516.6412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSC(=S)N2CCN(CC2)C(=S)SCC3=NC=C(N3C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1CSC(=S)N2CCN(CC2)C(=S)SCC3=NC=C(N3C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N8O4S4/c1-19-11(17-7-13(19)23(25)26)9-31-15(29)21-3-5-22(6-4-21)16(30)32-10-12-18-8-14(20(12)2)24(27)28/h7-8H,3-6,9-10H2,1-2H3