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

Systemtic Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromophenyl)-4-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-2-21-14-9-7-13(8-10-14)20-15(18-19-16(20)22)11-3-5-12(17)6-4-11/h3-10H,2H2,1H3,(H,19,22)