3-(2-azaniumylethylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate CAS Name: 3-(2-ammonioethylthio)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-(2-ammonioethylthio)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC[NH3+])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC[NH3+])[O-]

InChI

InChI=1S/C12H14N4O2S/c1-18-9-4-2-8(3-5-9)10-11(17)14-12(16-15-10)19-7-6-13/h2-5H,6-7,13H2,1H3,(H,14,16,17)