5-(cyclohexylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(cyclohexylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(cyclohexylamino)-1-(6-methylsulfonyl-3-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(cyclohexylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(cyclohexylamino)-1-(6-methylsulfonylpyridin-3-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(cyclohexylamino)-1-(6-mesyl-3-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N5O2S MolecularWeight: 413.41733

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NC3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NC3CCCCC3

InChI

InChI=1S/C17H18F3N5O2S/c1-28(26,27)14-8-7-12(10-22-14)25-16(23-11-5-3-2-4-6-11)13(9-21)15(24-25)17(18,19)20/h7-8,10-11,23H,2-6H2,1H3