4-[3-(4-bromophenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 4-[3-(4-bromophenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(4-bromophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(4-bromophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(4-bromophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(4-bromophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Formula: C15H8BrN3O2S-2 MolecularWeight: 374.21192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)C(=O)[O-])[S-])Br

InChI

InChI=1S/C15H10BrN3O2S/c16-11-5-1-9(2-6-11)13-17-18-15(22)19(13)12-7-3-10(4-8-12)14(20)21/h1-8H,(H,18,22)(H,20,21)/p-2