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

Systemtic Name: 1-(5-methylsulfonylpyridin-2-yl)-5-[(phenylmethyl)amino]-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(benzylamino)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-(5-methylsulfonyl-2-pyridinyl)-5-[(phenylmethyl)amino]-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(benzylamino)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(benzylamino)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H14F3N5O2S MolecularWeight: 421.39627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)NCC3=CC=CC=C3

InChI

InChI=1S/C18H14F3N5O2S/c1-29(27,28)13-7-8-15(23-11-13)26-17(24-10-12-5-3-2-4-6-12)14(9-22)16(25-26)18(19,20)21/h2-8,11,24H,10H2,1H3