5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonyl-3-pyridazinyl)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclohexylmethylamino)-1-(6-mesylpyridazin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C17H20F3N5O3S MolecularWeight: 431.43261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N5O3S/c1-29(27,28)14-8-7-13(22-23-14)25-16(21-9-11-5-3-2-4-6-11)12(10-26)15(24-25)17(18,19)20/h7-8,10-11,21H,2-6,9H2,1H3