2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-methylsulfonylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(4-mesylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Formula: C18H13F3N4O2S MolecularWeight: 406.38163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=NC=C3)CC#N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=NC=C3)CC#N)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O2S/c1-28(26,27)14-4-2-12(3-5-14)15-16(13-6-9-23-10-7-13)24-25(11-8-22)17(15)18(19,20)21/h2-7,9-10H,11H2,1H3