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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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