3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C17H13BrN3O2S- MolecularWeight: 403.27302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrN3O2S/c18-14-9-5-4-8-13(14)16-19-20-17(24-11-10-15(22)23)21(16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,22,23)/p-1