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

Systemtic Name: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromophenyl)-4-(2,4-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C16H13BrN3O2S- MolecularWeight: 391.26232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C16H14BrN3O2S/c1-21-12-7-8-13(14(9-12)22-2)20-15(18-19-16(20)23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,19,23)/p-1