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

Systemtic Name: 5-(azocan-1-yl)-3-[bis(fluoranyl)methyl]-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Openeye Name: 5-(azocan-1-yl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridyl)pyrazole-4-carbonitrile CAS Name: 5-(1-azocanyl)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azocan-1-yl)-3-(difluoromethyl)-1-(5-methylsulfonylpyridin-2-yl)pyrazole-4-carbonitrile Traditional Name: 5-(azocan-1-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)N3CCCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)F)C#N)N3CCCCCCC3

InChI

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