4-azanyl-5-pentadecyl-2-[6-[tris(bromanyl)methylsulfonyl]pyridin-2-yl]-4H-pyrazol-3-one

Systemtic Name: 4-azanyl-5-pentadecyl-2-[6-[tris(bromanyl)methylsulfonyl]pyridin-2-yl]-4H-pyrazol-3-one Openeye Name: 4-amino-5-pentadecyl-2-[6-(tribromomethylsulfonyl)-2-pyridyl]-4H-pyrazol-3-one CAS Name: 4-amino-5-pentadecyl-2-[6-(tribromomethylsulfonyl)-2-pyridinyl]-4H-pyrazol-3-one IUPAC Name: 4-amino-5-pentadecyl-2-[6-(tribromomethylsulfonyl)pyridin-2-yl]-4H-pyrazol-3-one Traditional Name: 4-amino-5-pentadecyl-2-[6-(tribromomethylsulfonyl)-2-pyridyl]-2-pyrazolin-3-one Formula: C24H37Br3N4O3S MolecularWeight: 701.35258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1N)C2=NC(=CC=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1N)C2=NC(=CC=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C24H37Br3N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22(28)23(32)31(30-19)20-17-15-18-21(29-20)35(33,34)24(25,26)27/h15,17-18,22H,2-14,16,28H2,1H3