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

Systemtic Name: 3-(3-azaniumylpropylsulfanyl)-6-(4-methylphenyl)-1,2,4-triazin-5-olate Openeye Name: 3-(3-azaniumylpropylsulfanyl)-6-(p-tolyl)-1,2,4-triazin-5-olate CAS Name: 3-(3-ammoniopropylthio)-6-(4-methylphenyl)-1,2,4-triazin-5-olate IUPAC Name: 3-(3-azaniumylpropylsulfanyl)-6-(4-methylphenyl)-1,2,4-triazin-5-olate Traditional Name: 3-(3-ammoniopropylthio)-6-(p-tolyl)-1,2,4-triazin-5-olate Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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