5-pentadecyl-7-[tris(bromanyl)methylsulfonyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 5-pentadecyl-7-[tris(bromanyl)methylsulfonyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 5-pentadecyl-7-(tribromomethylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 5-pentadecyl-7-(tribromomethylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 5-pentadecyl-7-(tribromomethylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 5-pentadecyl-7-(tribromomethylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C21H33Br3N4O2S MolecularWeight: 645.28932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NC2=NC=NN2C(=C1)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NC2=NC=NN2C(=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C21H33Br3N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(31(29,30)21(22,23)24)28-20(27-18)25-17-26-28/h16-17H,2-15H2,1H3