2-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetate CAS Name: 2-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]thio]acetate IUPAC Name: 2-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]sulfanyl]acetate Traditional Name: 2-[[6-(3-isopropoxy-3-keto-propyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]acetate Formula: C11H14N3O5S- MolecularWeight: 300.31096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC(=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCC(=O)[O-]

InChI

InChI=1S/C11H15N3O5S/c1-6(2)19-9(17)4-3-7-10(18)12-11(14-13-7)20-5-8(15)16/h6H,3-5H2,1-2H3,(H,15,16)(H,12,14,18)/p-1