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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-piperidin-1-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(1-piperidyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(1-piperidinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-piperidin-1-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-piperidino-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H16F3N5O2S MolecularWeight: 399.39075

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCCC3

InChI

InChI=1S/C16H16F3N5O2S/c1-27(25,26)11-5-6-13(21-10-11)24-15(23-7-3-2-4-8-23)12(9-20)14(22-24)16(17,18)19/h5-6,10H,2-4,7-8H2,1H3