5-methylsulfonyl-2-(4-prop-2-ynoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine

Systemtic Name: 5-methylsulfonyl-2-(4-prop-2-ynoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine Openeye Name: 5-methylsulfonyl-2-(4-prop-2-ynoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine CAS Name: 5-methylsulfonyl-2-(4-prop-2-ynoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine IUPAC Name: 5-methylsulfonyl-2-(4-prop-2-ynoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine Traditional Name: 5-mesyl-2-(4-propargyloxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyrimidine Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(N=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)OCC#C

Isomeric SMILES

CS(=O)(=O)C1=CN=C(N=C1C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(C=C3)OCC#C

InChI

InChI=1S/C21H15F3N2O3S/c1-3-11-29-17-9-7-14(8-10-17)20-25-13-18(30(2,27)28)19(26-20)15-5-4-6-16(12-15)21(22,23)24/h1,4-10,12-13H,11H2,2H3