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

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

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)N3CCCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCCCCC3

InChI

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