4-[4-(3-ethylsulfonylphenyl)quinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[4-(3-ethylsulfonylphenyl)quinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[4-(3-ethylsulfonylphenyl)-2-quinolyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[4-(3-ethylsulfonylphenyl)-2-quinolinyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[4-(3-ethylsulfonylphenyl)quinolin-2-yl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-(3-esylphenyl)-2-quinolyl]-5-methyl-3-pyrazolin-3-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC3=CC=CC=C32)C4=C(NNC4=O)C

InChI

InChI=1S/C21H19N3O3S/c1-3-28(26,27)15-8-6-7-14(11-15)17-12-19(20-13(2)23-24-21(20)25)22-18-10-5-4-9-16(17)18/h4-12H,3H2,1-2H3,(H2,23,24,25)