[3-nitro-5-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-2-propanoyloxy-phenyl] propanoate

Systemtic Name: [3-nitro-5-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-2-propanoyloxy-phenyl] propanoate Openeye Name: [3-nitro-5-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)-2-propanoyloxy-phenyl] propanoate CAS Name: propanoic acid [3-nitro-2-(1-oxopropoxy)-5-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl] ester IUPAC Name: [3-nitro-5-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-2-propanoyloxyphenyl] propanoate Traditional Name: propionic acid [5-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)-3-nitro-2-propionyloxy-phenyl] ester Formula: C15H14N4O7S MolecularWeight: 394.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NNC(=S)NC2=O

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NNC(=S)NC2=O

InChI

InChI=1S/C15H14N4O7S/c1-3-10(20)25-9-6-7(12-14(22)16-15(27)18-17-12)5-8(19(23)24)13(9)26-11(21)4-2/h5-6H,3-4H2,1-2H3,(H2,16,18,22,27)