5-ethyl-6-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one

Systemtic Name: 5-ethyl-6-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one Openeye Name: 5-ethyl-6-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one CAS Name: 5-ethyl-6-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 5-ethyl-6-(4-methylsulfonylphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one Traditional Name: 5-ethyl-6-(4-mesylphenyl)-2-(4-nitrobenzyl)-4,5-dihydropyridazin-3-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1CC(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-3-15-12-19(24)22(13-14-4-8-17(9-5-14)23(25)26)21-20(15)16-6-10-18(11-7-16)29(2,27)28/h4-11,15H,3,12-13H2,1-2H3