4-phenyl-3-propyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazole

Systemtic Name: 4-phenyl-3-propyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazole Openeye Name: 4-phenyl-3-propyl-5-(tribromomethylsulfonyl)-1,2,4-triazole CAS Name: 4-phenyl-3-propyl-5-(tribromomethylsulfonyl)-1,2,4-triazole IUPAC Name: 4-phenyl-3-propyl-5-(tribromomethylsulfonyl)-1,2,4-triazole Traditional Name: 4-phenyl-3-propyl-5-(tribromomethylsulfonyl)-1,2,4-triazole Formula: C12H12Br3N3O2S MolecularWeight: 502.01958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=CC=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=CC=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C12H12Br3N3O2S/c1-2-6-10-16-17-11(21(19,20)12(13,14)15)18(10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3