6-(4-azanyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(4-azanyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-amino-5-thioxo-1,2,4-triazolidin-3-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-(4-amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-amino-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-(4-amino-5-thioxo-1,2,4-triazolidin-3-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C8H6N6O5S MolecularWeight: 298.23544

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=C2NNC(=S)N2N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=O)C1=C2NNC(=S)N2N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H6N6O5S/c9-12-7(10-11-8(12)20)4-1-3(13(16)17)2-5(6(4)15)14(18)19/h1-2,10H,9H2,(H,11,20)