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

Systemtic Name: 6-(2-azanyl-5-bromanyl-phenyl)-3-pentylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-amino-5-bromo-phenyl)-3-pentylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-amino-5-bromophenyl)-3-(pentylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-amino-5-bromophenyl)-3-pentylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-amino-5-bromo-phenyl)-3-(amylthio)-1,2,4-triazin-5-olate Formula: C14H16BrN4OS- MolecularWeight: 368.27204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)N)[O-]

Isomeric SMILES

CCCCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)N)[O-]

InChI

InChI=1S/C14H17BrN4OS/c1-2-3-4-7-21-14-17-13(20)12(18-19-14)10-8-9(15)5-6-11(10)16/h5-6,8H,2-4,7,16H2,1H3,(H,17,19,20)/p-1