[5-(2-pentylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone

Systemtic Name: [5-(2-pentylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-yl-methanone Openeye Name: [5-(2-pentylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridyl)methanone CAS Name: [5-(2-pentylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridinyl)methanone IUPAC Name: [5-(2-pentylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone Traditional Name: [3-(2-amylsulfonylphenyl)-2-pyrazolin-1-yl]-(3-pyridyl)methanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC=CC=C1C2=NN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC=CC=C1C2=NN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-2-3-6-14-27(25,26)19-10-5-4-9-17(19)18-11-13-23(22-18)20(24)16-8-7-12-21-15-16/h4-5,7-10,12,15H,2-3,6,11,13-14H2,1H3