3-(2-azaniumylethylsulfanyl)-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-5-olate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-(3-isopropoxy-3-oxo-propyl)-1,2,4-triazin-5-olate CAS Name: 3-(2-ammonioethylthio)-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate Traditional Name: 3-(2-ammonioethylthio)-6-(3-isopropoxy-3-keto-propyl)-1,2,4-triazin-5-olate Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC[NH3+])[O-]

Isomeric SMILES

CC(C)OC(=O)CCC1=C(N=C(N=N1)SCC[NH3+])[O-]

InChI

InChI=1S/C11H18N4O3S/c1-7(2)18-9(16)4-3-8-10(17)13-11(15-14-8)19-6-5-12/h7H,3-6,12H2,1-2H3,(H,13,15,17)