1-(3-bromophenyl)-5-thiophen-2-yl-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5-thiophen-2-yl-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(2-thienyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-thiophen-2-yl-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-thiophen-2-yltriazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-(2-thienyl)triazole-4-carboxylate Formula: C13H7BrN3O2S- MolecularWeight: 349.18258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N2C(=C(N=N2)C(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)N2C(=C(N=N2)C(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C13H8BrN3O2S/c14-8-3-1-4-9(7-8)17-12(10-5-2-6-20-10)11(13(18)19)15-16-17/h1-7H,(H,18,19)/p-1