5-(3-azaniumylpropylsulfanyl)-1,2,4-triazin-3-olate

Systemtic Name: 5-(3-azaniumylpropylsulfanyl)-1,2,4-triazin-3-olate Openeye Name: 5-(3-azaniumylpropylsulfanyl)-1,2,4-triazin-3-olate CAS Name: 5-(3-ammoniopropylthio)-1,2,4-triazin-3-olate IUPAC Name: 5-(3-azaniumylpropylsulfanyl)-1,2,4-triazin-3-olate Traditional Name: 5-(3-ammoniopropylthio)-1,2,4-triazin-3-olate Formula: C6H10N4OS MolecularWeight: 186.2348

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=N1)[O-])SCCC[NH3+]

Isomeric SMILES

C1=C(N=C(N=N1)[O-])SCCC[NH3+]

InChI

InChI=1S/C6H10N4OS/c7-2-1-3-12-5-4-8-10-6(11)9-5/h4H,1-3,7H2,(H,9,10,11)