6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 5-keto-6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-2H-1,2,4-triazin-3-olate Formula: C11H7N4O5S- MolecularWeight: 307.26208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C11H8N4O5S/c16-8(6-2-1-3-7(4-6)15(19)20)5-21-10-9(17)12-11(18)14-13-10/h1-4H,5H2,(H2,12,14,17,18)/p-1