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

Systemtic Name: 5-(cyclohexylmethylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(cyclohexylmethylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclohexylmethylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C18H21F3N4O3S MolecularWeight: 430.44455

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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)NCC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C=O)NCC3CCCCC3

InChI

InChI=1S/C18H21F3N4O3S/c1-29(27,28)13-7-8-15(22-10-13)25-17(23-9-12-5-3-2-4-6-12)14(11-26)16(24-25)18(19,20)21/h7-8,10-12,23H,2-6,9H2,1H3