3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione

Systemtic Name: 3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione Openeye Name: 3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione CAS Name: 3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione IUPAC Name: 3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione Traditional Name: 3-(4-nitrophenyl)-3H-1,2,4,5-tetrazine-2,4-diium-6-thione Formula: C8H7N5O2S+2 MolecularWeight: 237.23848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2[NH+]=NC(=S)N=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2[NH+]=NC(=S)N=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C8H5N5O2S/c14-13(15)6-3-1-5(2-4-6)7-9-11-8(16)12-10-7/h1-4,7H/p+2