N3-[(3-bromophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine

Systemtic Name: N3-[(3-bromophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine Openeye Name: N3-[(3-bromophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine CAS Name: N3-[(3-bromophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[(3-bromophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1-phenyl-1,2,4-triazol-3-yl)-(3-bromobenzyl)amine Formula: C15H14BrN5 MolecularWeight: 344.20916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)NCC3=CC(=CC=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)NCC3=CC(=CC=C3)Br)N

InChI

InChI=1S/C15H14BrN5/c16-12-6-4-5-11(9-12)10-18-15-19-14(17)21(20-15)13-7-2-1-3-8-13/h1-9H,10H2,(H3,17,18,19,20)