2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H11BrN4O2S MolecularWeight: 391.24244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)O)C3=CC=NC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)O)C3=CC=NC=C3)Br

InChI

InChI=1S/C15H11BrN4O2S/c16-11-1-3-12(4-2-11)20-14(10-5-7-17-8-6-10)18-19-15(20)23-9-13(21)22/h1-8H,9H2,(H,21,22)