5-(3-bromophenyl)-4-phenyl-2-[phenyl(phenylazanyl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-bromophenyl)-4-phenyl-2-[phenyl(phenylazanyl)methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[anilino(phenyl)methyl]-5-(3-bromophenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C27H21BrN4S MolecularWeight: 513.45144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC=CC=C2)N3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4S/c28-22-14-10-13-21(19-22)26-30-32(27(33)31(26)24-17-8-3-9-18-24)25(20-11-4-1-5-12-20)29-23-15-6-2-7-16-23/h1-19,25,29H