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

Systemtic Name: 3-(4-bromophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-bromophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-bromophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-bromophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-bromophenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C16H14BrN3S MolecularWeight: 360.27146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3S/c17-14-8-6-13(7-9-14)15-18-19-16(21)20(15)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21)