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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)C3CCCNCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)C3CCCNCC3

InChI

InChI=1S/C17H19F2N5O2S/c1-27(25,26)12-4-5-14(22-10-12)24-16(11-3-2-7-21-8-6-11)13(9-20)15(23-24)17(18)19/h4-5,10-11,17,21H,2-3,6-8H2,1H3