3-[(3-bromophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[(3-bromophenyl)methylthio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[(3-bromobenzyl)thio]-6-methyl-1,2,4-triazin-5-olate Formula: C11H9BrN3OS- MolecularWeight: 311.17766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC(=CC=C2)Br)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC(=CC=C2)Br)[O-]

InChI

InChI=1S/C11H10BrN3OS/c1-7-10(16)13-11(15-14-7)17-6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,13,15,16)/p-1