N-[[4-[(5-bromanyl-2-methoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[[4-[(5-bromanyl-2-methoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[[4-[(5-bromo-2-methoxy-phenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[[4-[(5-bromo-2-methoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[[4-[(5-bromo-2-methoxyphenyl)methylamino]phenyl]methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (5-bromo-2-methoxy-benzyl)-[4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenyl]amine Formula: C17H18BrN5O MolecularWeight: 388.26172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC=C(C=C2)CNC3=NC=NN3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC=C(C=C2)CNC3=NC=NN3

InChI

InChI=1S/C17H18BrN5O/c1-24-16-7-4-14(18)8-13(16)10-19-15-5-2-12(3-6-15)9-20-17-21-11-22-23-17/h2-8,11,19H,9-10H2,1H3,(H2,20,21,22,23)