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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)F)C#N

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)F)C#N

InChI

InChI=1S/C18H20F2N4O2S/c1-12-4-3-9-23(11-12)18-15(10-21)16(17(19)20)22-24(18)13-5-7-14(8-6-13)27(2,25)26/h5-8,12,17H,3-4,9,11H2,1-2H3