4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C13H8BrN4S- MolecularWeight: 332.19842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

InChI

InChI=1S/C13H9BrN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19)/p-1