3-[bis(fluoranyl)methyl]-5-chloranyl-1-(3-methylsulfonylphenyl)pyrazole-4-carbonitrile

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-chloranyl-1-(3-methylsulfonylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-chloro-3-(difluoromethyl)-1-(3-methylsulfonylphenyl)pyrazole-4-carbonitrile CAS Name: 5-chloro-3-(difluoromethyl)-1-(3-methylsulfonylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-chloro-3-(difluoromethyl)-1-(3-methylsulfonylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-chloro-3-(difluoromethyl)-1-(3-mesylphenyl)pyrazole-4-carbonitrile Formula: C12H8ClF2N3O2S MolecularWeight: 331.725626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)N2C(=C(C(=N2)C(F)F)C#N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)N2C(=C(C(=N2)C(F)F)C#N)Cl

InChI

InChI=1S/C12H8ClF2N3O2S/c1-21(19,20)8-4-2-3-7(5-8)18-11(13)9(6-16)10(17-18)12(14)15/h2-5,12H,1H3