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

Systemtic Name: 5-[(4-bromophenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine Openeye Name: 5-[(4-bromophenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine CAS Name: 5-[(4-bromophenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[(4-bromophenyl)methylsulfonyl]-1H-1,2,4-triazol-3-amine Traditional Name: [5-(4-bromobenzyl)sulfonyl-1H-1,2,4-triazol-3-yl]amine Formula: C9H9BrN4O2S MolecularWeight: 317.16236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C2=NC(=NN2)N)Br

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)C2=NC(=NN2)N)Br

InChI

InChI=1S/C9H9BrN4O2S/c10-7-3-1-6(2-4-7)5-17(15,16)9-12-8(11)13-14-9/h1-4H,5H2,(H3,11,12,13,14)