4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate

Systemtic Name: 4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Openeye Name: 4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoate IUPAC Name: 4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyrate Formula: C15H12F3N2O2S- MolecularWeight: 341.32819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H13F3N2O2S/c16-15(17,18)12-9-11(10-5-2-1-3-6-10)19-14(20-12)23-8-4-7-13(21)22/h1-3,5-6,9H,4,7-8H2,(H,21,22)/p-1