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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-(3-isopropoxy-3-oxo-propyl)-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-(3-oxo-3-propan-2-yloxypropyl)-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-(3-isopropoxy-3-keto-propyl)-1,2,4-triazin-5-olate Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3S/c1-8(2)19-10(17)5-4-9-11(18)14-12(16-15-9)20-7-3-6-13/h8H,3-7,13H2,1-2H3,(H,14,16,18)