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

Systemtic Name: 6-(2-acetamido-5-bromanyl-phenyl)-3-methylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-(2-acetamido-5-bromo-phenyl)-3-methylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-(2-acetamido-5-bromophenyl)-3-(methylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-(2-acetamido-5-bromophenyl)-3-methylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 6-(2-acetamido-5-bromo-phenyl)-3-(methylthio)-1,2,4-triazin-5-olate Formula: C12H10BrN4O2S- MolecularWeight: 354.2024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C2=C(N=C(N=N2)SC)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)Br)C2=C(N=C(N=N2)SC)[O-]

InChI

InChI=1S/C12H11BrN4O2S/c1-6(18)14-9-4-3-7(13)5-8(9)10-11(19)15-12(20-2)17-16-10/h3-5H,1-2H3,(H,14,18)(H,15,17,19)/p-1