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

Systemtic Name: 2-[4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-13-5-3-4-6-16(13)17-18(14-7-9-15(10-8-14)29(2,27)28)25-26(12-11-24)19(17)20(21,22)23/h3-10H,12H2,1-2H3