5-chloranyl-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-chloranyl-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-chloro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-chloro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-chloro-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-chloro-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H7ClF3N3O2S MolecularWeight: 349.71609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClF3N3O2S/c1-22(20,21)8-4-2-7(3-5-8)19-11(13)9(6-17)10(18-19)12(14,15)16/h2-5H,1H3