3-[bis(fluoranyl)methyl]-5-(2-methylprop-2-enylamino)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbaldehyde

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(2-methylprop-2-enylamino)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbaldehyde Openeye Name: 3-(difluoromethyl)-5-(2-methylallylamino)-1-(6-methylsulfonyl-3-pyridyl)pyrazole-4-carbaldehyde CAS Name: 3-(difluoromethyl)-5-(2-methylprop-2-enylamino)-1-(6-methylsulfonyl-3-pyridinyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(difluoromethyl)-5-(2-methylprop-2-enylamino)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-(difluoromethyl)-1-(6-mesyl-3-pyridyl)-5-(2-methylallylamino)pyrazole-4-carbaldehyde Formula: C15H16F2N4O3S MolecularWeight: 370.374346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)F)C=O

Isomeric SMILES

CC(=C)CNC1=C(C(=NN1C2=CN=C(C=C2)S(=O)(=O)C)C(F)F)C=O

InChI

InChI=1S/C15H16F2N4O3S/c1-9(2)6-19-15-11(8-22)13(14(16)17)20-21(15)10-4-5-12(18-7-10)25(3,23)24/h4-5,7-8,14,19H,1,6H2,2-3H3