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

Systemtic Name: 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(4-mesylphenyl)-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3S/c1-29-15-7-3-13(4-8-15)17-18(14-5-9-16(10-6-14)30(2,27)28)25-26(12-11-24)19(17)20(21,22)23/h3-10H,12H2,1-2H3