4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile CAS Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzonitrile IUPAC Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile Traditional Name: 4-[5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile Formula: C18H12F3N3O2S MolecularWeight: 391.36699

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C18H12F3N3O2S/c1-27(25,26)15-8-4-13(5-9-15)16-10-17(18(19,20)21)23-24(16)14-6-2-12(11-22)3-7-14/h2-10H,1H3