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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-(4-methoxyphenyl)-1,2,4-triazin-5-olate Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-19-10-5-3-9(4-6-10)11-12(18)15-13(17-16-11)20-8-2-7-14/h3-6H,2,7-8,14H2,1H3,(H,15,17,18)