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

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(3,5-dimethyl-1-piperidyl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(3,5-dimethyl-1-piperidinyl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(3,5-dimethylpiperidino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H20F3N5O2S MolecularWeight: 427.44391

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N)C

InChI

InChI=1S/C18H20F3N5O2S/c1-11-6-12(2)10-25(9-11)17-14(7-22)16(18(19,20)21)24-26(17)15-5-4-13(8-23-15)29(3,27)28/h4-5,8,11-12H,6,9-10H2,1-3H3