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

Systemtic Name: 6-(2-acetamidophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-acetamidophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-acetamidophenyl)-3-(butylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-acetamidophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-acetamidophenyl)-3-(butylthio)-1,2,4-triazin-5-olate Formula: C15H17N4O2S- MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(N=N1)C2=CC=CC=C2NC(=O)C)[O-]

Isomeric SMILES

CCCCSC1=NC(=C(N=N1)C2=CC=CC=C2NC(=O)C)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-3-4-9-22-15-17-14(21)13(18-19-15)11-7-5-6-8-12(11)16-10(2)20/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,17,19,21)/p-1