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

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate CAS Name: 3-(2-ammonioethylthio)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-(2-ammonioethylthio)-6-(3,4-dimethylphenyl)-1,2,4-triazin-5-olate Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC[NH3+])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(N=C(N=N2)SCC[NH3+])[O-])C

InChI

InChI=1S/C13H16N4OS/c1-8-3-4-10(7-9(8)2)11-12(18)15-13(17-16-11)19-6-5-14/h3-4,7H,5-6,14H2,1-2H3,(H,15,17,18)