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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N5O2S/c1-11-4-3-7-23(10-11)17-13(8-20)15(16(18)19)22-24(17)14-6-5-12(9-21-14)27(2,25)26/h5-6,9,11,16H,3-4,7,10H2,1-2H3