5-(3-methylpiperidin-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(3-methylpiperidin-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(3-methyl-1-piperidyl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(3-methyl-1-piperidinyl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(3-methylpiperidin-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(3-methylpiperidino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N5O2S MolecularWeight: 413.41733

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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)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N5O2S/c1-11-4-3-7-24(10-11)16-13(8-21)15(17(18,19)20)23-25(16)14-6-5-12(9-22-14)28(2,26)27/h5-6,9,11H,3-4,7,10H2,1-2H3