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

Systemtic Name: 5-(azocan-5-yl)-3-[bis(fluoranyl)methyl]-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-(azocan-5-yl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridyl)pyrazole-4-carbonitrile CAS Name: 5-(5-azocanyl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azocan-5-yl)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-(azocan-5-yl)-3-(difluoromethyl)-1-(5-mesyl-2-pyridyl)pyrazole-4-carbonitrile Formula: C18H21F2N5O2S MolecularWeight: 409.453446

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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)C3CCCNCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)C3CCCNCCC3

InChI

InChI=1S/C18H21F2N5O2S/c1-28(26,27)13-6-7-15(23-11-13)25-17(12-4-2-8-22-9-3-5-12)14(10-21)16(24-25)18(19)20/h6-7,11-12,18,22H,2-5,8-9H2,1H3