5-[(2-methylcyclohexyl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(2-methylcyclohexyl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(2-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(2-methylcyclohexyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(2-methylcyclohexyl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-[(2-methylcyclohexyl)amino]-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H20F3N5O2S MolecularWeight: 427.44391

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC1CCCCC1NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C18H20F3N5O2S/c1-11-5-3-4-6-14(11)24-17-13(9-22)16(18(19,20)21)25-26(17)15-8-7-12(10-23-15)29(2,27)28/h7-8,10-11,14,24H,3-6H2,1-2H3