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

Systemtic Name: N3-[(3-bromophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Openeye Name: N3-[(3-bromophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine CAS Name: N3-[(3-bromophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine IUPAC Name: 3-N-[(3-bromophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine Traditional Name: (5-amino-1H-1,2,4-triazol-3-yl)-(3-bromobenzyl)amine Formula: C9H10BrN5 MolecularWeight: 268.1132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC2=NNC(=N2)N

InChI

InChI=1S/C9H10BrN5/c10-7-3-1-2-6(4-7)5-12-9-13-8(11)14-15-9/h1-4H,5H2,(H4,11,12,13,14,15)