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

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-olate Openeye Name: 5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-olate CAS Name: 5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-olate Traditional Name: 5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-olate Formula: C10H9BrN3OS- MolecularWeight: 299.16696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C10H10BrN3OS/c1-14-9(15)12-13-10(14)16-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,15)/p-1