3-[bis(fluoranyl)methyl]-5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde Openeye Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridazinyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridazin-3-yl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-mesylpyridazin-3-yl)pyrazole-4-carbaldehyde Formula: C17H21F2N5O3S MolecularWeight: 413.442146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F2N5O3S/c1-28(26,27)14-8-7-13(21-22-14)24-17(12(10-25)15(23-24)16(18)19)20-9-11-5-3-2-4-6-11/h7-8,10-11,16,20H,2-6,9H2,1H3