3-(3-azaniumylpropylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-phenyl-1,2,4-triazin-5-olate Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC[NH3+])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=N2)SCCC[NH3+])[O-]

InChI

InChI=1S/C12H14N4OS/c13-7-4-8-18-12-14-11(17)10(15-16-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,13H2,(H,14,16,17)