6-(2-acetamidophenyl)-3-ethylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-acetamidophenyl)-3-ethylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-acetamidophenyl)-3-ethylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-acetamidophenyl)-3-(ethylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-acetamidophenyl)-3-ethylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-acetamidophenyl)-3-(ethylthio)-1,2,4-triazin-5-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(N=N1)C2=CC=CC=C2NC(=O)C)[O-]

Isomeric SMILES

CCSC1=NC(=C(N=N1)C2=CC=CC=C2NC(=O)C)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-3-20-13-15-12(19)11(16-17-13)9-6-4-5-7-10(9)14-8(2)18/h4-7H,3H2,1-2H3,(H,14,18)(H,15,17,19)/p-1