5-(2-methylpropoxy)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(2-methylpropoxy)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-isobutoxy-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(2-methylpropoxy)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(2-methylpropoxy)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-isobutoxy-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C15H16F3N3O4S MolecularWeight: 391.36545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C=O

Isomeric SMILES

CC(C)COC1=C(C(=NN1C2=NC=C(C=C2)S(=O)(=O)C)C(F)(F)F)C=O

InChI

InChI=1S/C15H16F3N3O4S/c1-9(2)8-25-14-11(7-22)13(15(16,17)18)20-21(14)12-5-4-10(6-19-12)26(3,23)24/h4-7,9H,8H2,1-3H3