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

Systemtic Name: 3-(2-azaniumylethylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-(2-azaniumylethylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-(2-ammonioethylthio)-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-(2-azaniumylethylsulfanyl)-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-(2-ammonioethylthio)-6-phenyl-1,2,4-triazin-5-olate Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4OS/c12-6-7-17-11-13-10(16)9(14-15-11)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,15,16)