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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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