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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(tetrahydrofuran-2-ylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-(2-oxolanylmethylamino)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-(5-methylsulfonylpyridin-2-yl)-5-(oxolan-2-ylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-(tetrahydrofurfurylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C16H16F3N5O3S MolecularWeight: 415.39015

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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)NCC3CCCO3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NCC3CCCO3

InChI

InChI=1S/C16H16F3N5O3S/c1-28(25,26)11-4-5-13(21-9-11)24-15(22-8-10-3-2-6-27-10)12(7-20)14(23-24)16(17,18)19/h4-5,9-10,22H,2-3,6,8H2,1H3