6-(2-acetamido-5-bromanyl-phenyl)-3-propylsulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-(2-acetamido-5-bromanyl-phenyl)-3-propylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-acetamido-5-bromo-phenyl)-3-propylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-acetamido-5-bromophenyl)-3-(propylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-acetamido-5-bromophenyl)-3-propylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-acetamido-5-bromo-phenyl)-3-(propylthio)-1,2,4-triazin-5-olate Formula: C14H14BrN4O2S- MolecularWeight: 382.25556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)NC(=O)C)[O-]

Isomeric SMILES

CCCSC1=NC(=C(N=N1)C2=C(C=CC(=C2)Br)NC(=O)C)[O-]

InChI

InChI=1S/C14H15BrN4O2S/c1-3-6-22-14-17-13(21)12(18-19-14)10-7-9(15)4-5-11(10)16-8(2)20/h4-5,7H,3,6H2,1-2H3,(H,16,20)(H,17,19,21)/p-1