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

Systemtic Name: 6-(2-azanyl-5-bromanyl-phenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-amino-5-bromo-phenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-amino-5-bromophenyl)-3-(hexylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-amino-5-bromophenyl)-3-hexylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-amino-5-bromo-phenyl)-3-(hexylthio)-1,2,4-triazin-5-olate Formula: C15H18BrN4OS- MolecularWeight: 382.29862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)N)[O-]

Isomeric SMILES

CCCCCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)N)[O-]

InChI

InChI=1S/C15H19BrN4OS/c1-2-3-4-5-8-22-15-18-14(21)13(19-20-15)11-9-10(16)6-7-12(11)17/h6-7,9H,2-5,8,17H2,1H3,(H,18,20,21)/p-1