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

Systemtic Name: 4-phenyl-3-tridecyl-5-[tris(bromanyl)methylsulfonyl]-1,2,4-triazole Openeye Name: 4-phenyl-3-(tribromomethylsulfonyl)-5-tridecyl-1,2,4-triazole CAS Name: 4-phenyl-3-(tribromomethylsulfonyl)-5-tridecyl-1,2,4-triazole IUPAC Name: 4-phenyl-3-(tribromomethylsulfonyl)-5-tridecyl-1,2,4-triazole Traditional Name: 4-phenyl-3-(tribromomethylsulfonyl)-5-tridecyl-1,2,4-triazole Formula: C22H32Br3N3O2S MolecularWeight: 642.28538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C22H32Br3N3O2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-26-27-21(31(29,30)22(23,24)25)28(20)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3