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

Systemtic Name: 6-(2-aminophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-aminophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-aminophenyl)-3-(butylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-aminophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-aminophenyl)-3-(butylthio)-1,2,4-triazin-5-olate Formula: C13H15N4OS- MolecularWeight: 275.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

Isomeric SMILES

CCCCSC1=NC(=C(N=N1)C2=CC=CC=C2N)[O-]

InChI

InChI=1S/C13H16N4OS/c1-2-3-8-19-13-15-12(18)11(16-17-13)9-6-4-5-7-10(9)14/h4-7H,2-3,8,14H2,1H3,(H,15,17,18)/p-1