4-[3-[bis(fluoranyl)methyl]-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[bis(fluoranyl)methyl]-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile CAS Name: 4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzonitrile IUPAC Name: 4-[3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile Traditional Name: 4-[3-(difluoromethyl)-5-(4-mesylphenyl)pyrazol-1-yl]benzonitrile Formula: C18H13F2N3O2S MolecularWeight: 373.376526

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F2N3O2S/c1-26(24,25)15-8-4-13(5-9-15)17-10-16(18(19)20)22-23(17)14-6-2-12(11-21)3-7-14/h2-10,18H,1H3