6-(2-azanyl-5-bromanyl-phenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-azanyl-5-bromanyl-phenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-amino-5-bromo-phenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-amino-5-bromophenyl)-3-(butylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-amino-5-bromophenyl)-3-butylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-amino-5-bromo-phenyl)-3-(butylthio)-1,2,4-triazin-5-olate Formula: C13H14BrN4OS- MolecularWeight: 354.24546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN4OS/c1-2-3-6-20-13-16-12(19)11(17-18-13)9-7-8(14)4-5-10(9)15/h4-5,7H,2-3,6,15H2,1H3,(H,16,18,19)/p-1