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

Systemtic Name: N-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-5-amine CAS Name: N-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-5-amine Traditional Name: (3-bromobenzyl)-(1H-1,2,4-triazol-5-yl)amine Formula: C9H9BrN4 MolecularWeight: 253.09856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC2=NC=NN2

InChI

InChI=1S/C9H9BrN4/c10-8-3-1-2-7(4-8)5-11-9-12-6-13-14-9/h1-4,6H,5H2,(H2,11,12,13,14)