5-(3-chloranyl-4-ethynyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole

Systemtic Name: 5-(3-chloranyl-4-ethynyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Openeye Name: 5-(3-chloro-4-ethynyl-phenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole CAS Name: 5-(3-chloro-4-ethynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole IUPAC Name: 5-(3-chloro-4-ethynylphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole Traditional Name: 5-(3-chloro-4-ethynyl-phenyl)-1-(4-mesylphenyl)-3-(trifluoromethyl)pyrazole Formula: C19H12ClF3N2O2S MolecularWeight: 424.82399

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)C#C)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)C#C)Cl

InChI

InChI=1S/C19H12ClF3N2O2S/c1-3-12-4-5-13(10-16(12)20)17-11-18(19(21,22)23)24-25(17)14-6-8-15(9-7-14)28(2,26)27/h1,4-11H,2H3