5-oxidanylidene-6-[(2S)-1-oxidanylidene-1-pentoxy-propan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate

Systemtic Name: 5-oxidanylidene-6-[(2S)-1-oxidanylidene-1-pentoxy-propan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Openeye Name: 6-[(1S)-1-methyl-2-oxo-2-pentoxy-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 5-oxo-6-[[(2S)-1-oxo-1-pentoxypropan-2-yl]thio]-2H-1,2,4-triazin-3-olate IUPAC Name: 5-oxo-6-[(2S)-1-oxo-1-pentoxypropan-2-yl]sulfanyl-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[(1S)-2-amoxy-2-keto-1-methyl-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C11H16N3O4S- MolecularWeight: 286.32744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)SC1=NNC(=NC1=O)[O-]

Isomeric SMILES

CCCCCOC(=O)[C@H](C)SC1=NNC(=NC1=O)[O-]

InChI

InChI=1S/C11H17N3O4S/c1-3-4-5-6-18-10(16)7(2)19-9-8(15)12-11(17)14-13-9/h7H,3-6H2,1-2H3,(H2,12,14,15,17)/p-1/t7-/m0/s1