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

Systemtic Name: 5-(azepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C17H18F3N5O2S MolecularWeight: 413.41733

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)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)C#N)N3CCCCCC3

InChI

InChI=1S/C17H18F3N5O2S/c1-28(26,27)12-6-7-14(22-11-12)25-16(24-8-4-2-3-5-9-24)13(10-21)15(23-25)17(18,19)20/h6-7,11H,2-5,8-9H2,1H3