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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pyridin-2-ylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(2-pyridylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(2-pyridinylmethylamino)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(pyridin-2-ylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(2-pyridylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C17H14F3N5O3S MolecularWeight: 425.38497

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)NCC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)NCC3=CC=CC=N3

InChI

InChI=1S/C17H14F3N5O3S/c1-29(27,28)12-5-6-14(22-9-12)25-16(23-8-11-4-2-3-7-21-11)13(10-26)15(24-25)17(18,19)20/h2-7,9-10,23H,8H2,1H3