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

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(cyclohexylmethylamino)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridyl)pyrazole-4-carbonitrile CAS Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonyl-3-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-methylsulfonylpyridin-3-yl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclohexylmethylamino)-3-(difluoromethyl)-1-(6-mesyl-3-pyridyl)pyrazole-4-carbonitrile Formula: C18H21F2N5O2S MolecularWeight: 409.453446

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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#N)NCC3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H21F2N5O2S/c1-28(26,27)15-8-7-13(11-22-15)25-18(14(9-21)16(24-25)17(19)20)23-10-12-5-3-2-4-6-12/h7-8,11-12,17,23H,2-6,10H2,1H3