5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 1-(6-methylsulfonyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(butan-2-ylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 1-(6-mesyl-3-pyridyl)-5-(sec-butylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C15H17F3N4O3S MolecularWeight: 390.38069

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)(F)F)C=O

Isomeric SMILES

CCC(C)NC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)(F)F)C=O

InChI

InChI=1S/C15H17F3N4O3S/c1-4-9(2)20-14-11(8-23)13(15(16,17)18)21-22(14)10-5-6-12(19-7-10)26(3,24)25/h5-9,20H,4H2,1-3H3