3-[3-[(2-bromanylphenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-[(2-bromanylphenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(2-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(2-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(2-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(2-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione Formula: C23H20BrN3OS MolecularWeight: 466.3934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=CC=C4Br

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=CC=C4Br

InChI

InChI=1S/C23H20BrN3OS/c1-16(18-9-3-2-4-10-18)27-22(25-26-23(27)29)19-11-7-8-17(14-19)15-28-21-13-6-5-12-20(21)24/h2-14,16H,15H2,1H3,(H,26,29)