5-[(4-methylphenyl)methylamino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(4-methylphenyl)methylamino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-(5-methylsulfonyl-2-pyridyl)-5-(p-tolylmethylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-methylphenyl)methylamino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-methylphenyl)methylamino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-(5-mesyl-2-pyridyl)-5-[(4-methylbenzyl)amino]-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C19H16F3N5O2S MolecularWeight: 435.42285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N

InChI

InChI=1S/C19H16F3N5O2S/c1-12-3-5-13(6-4-12)10-25-18-15(9-23)17(19(20,21)22)26-27(18)16-8-7-14(11-24-16)30(2,28)29/h3-8,11,25H,10H2,1-2H3