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

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbaldehyde Openeye Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridyl)pyrazole-4-carbaldehyde CAS Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridinyl)-4-pyrazolecarboxaldehyde IUPAC Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbaldehyde Traditional Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-mesyl-3-pyridyl)pyrazole-4-carbaldehyde Formula: C18H22F2N4O3S MolecularWeight: 412.454086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F2N4O3S/c1-28(26,27)15-8-7-13(10-21-15)24-18(14(11-25)16(23-24)17(19)20)22-9-12-5-3-2-4-6-12/h7-8,10-12,17,22H,2-6,9H2,1H3