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

Systemtic Name: 4-(4-bromophenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromophenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromophenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromophenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromophenyl)-3-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)CCC2=NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NNC(=S)N2C3=CC=C(C=C3)Br

InChI

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