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

Systemtic Name: 4-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C16H14BrN3O2S MolecularWeight: 392.27026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Br)OC

InChI

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