N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(1H-1,2,4-triazol-5-yl)amine Formula: C11H13BrN4O2 MolecularWeight: 313.15052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=NC=NN2)Br)OC

InChI

InChI=1S/C11H13BrN4O2/c1-17-9-4-7(3-8(12)10(9)18-2)5-13-11-14-6-15-16-11/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16)