5-(azepan-1-yl)-3-[bis(fluoranyl)methyl]-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-3-[bis(fluoranyl)methyl]-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridyl)pyrazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-3-(difluoromethyl)-1-(5-mesyl-2-pyridyl)pyrazole-4-carbonitrile Formula: C17H19F2N5O2S MolecularWeight: 395.426866

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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)C#N)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)N3CCCCCC3

InChI

InChI=1S/C17H19F2N5O2S/c1-27(25,26)12-6-7-14(21-11-12)24-17(23-8-4-2-3-5-9-23)13(10-20)15(22-24)16(18)19/h6-7,11,16H,2-5,8-9H2,1H3