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

Systemtic Name: 5-(azepan-4-yl)-3-[bis(fluoranyl)methyl]-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-(azepan-4-yl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile CAS Name: 5-(4-azepanyl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azepan-4-yl)-3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-(azepan-4-yl)-3-(difluoromethyl)-1-(4-mesylphenyl)pyrazole-4-carbonitrile Formula: C18H20F2N4O2S MolecularWeight: 394.438806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N4O2S/c1-27(25,26)14-6-4-13(5-7-14)24-17(12-3-2-9-22-10-8-12)15(11-21)16(23-24)18(19)20/h4-7,12,18,22H,2-3,8-10H2,1H3