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

Systemtic Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrimidine Openeye Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrimidine CAS Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]pyrimidine IUPAC Name: 4-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrimidine Traditional Name: 4-[1-ethyl-3-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]pyrimidine Formula: C17H15F3N4O2S MolecularWeight: 396.38681

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=NC=NC=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=NC=NC=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O2S/c1-3-24-16(17(18,19)20)14(13-8-9-21-10-22-13)15(23-24)11-4-6-12(7-5-11)27(2,25)26/h4-10H,3H2,1-2H3