3-nitro-5-(5-oxidanyl-3-sulfanylidene-2,4-dihydro-1H-1,2,4-triazin-6-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-nitro-5-(5-oxidanyl-3-sulfanylidene-2,4-dihydro-1H-1,2,4-triazin-6-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(5-hydroxy-3-thioxo-2,4-dihydro-1H-1,2,4-triazin-6-yl)-3-nitro-1,2-benzoquinone CAS Name: 5-(5-hydroxy-3-sulfanylidene-2,4-dihydro-1H-1,2,4-triazin-6-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-(5-hydroxy-3-sulfanylidene-2,4-dihydro-1H-1,2,4-triazin-6-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(5-hydroxy-3-thioxo-2,4-dihydro-1H-1,2,4-triazin-6-yl)-3-nitro-o-benzoquinone Formula: C9H6N4O5S MolecularWeight: 282.23274

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=O)[N+](=O)[O-])C2=C(NC(=S)NN2)O

Isomeric SMILES

C1=C(C=C(C(=O)C1=O)[N+](=O)[O-])C2=C(NC(=S)NN2)O

InChI

InChI=1S/C9H6N4O5S/c14-5-2-3(1-4(7(5)15)13(17)18)6-8(16)10-9(19)12-11-6/h1-2,11,16H,(H2,10,12,19)