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

Systemtic Name: 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Openeye Name: 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoate IUPAC Name: 4-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyrate Formula: C16H14F3N2O3S- MolecularWeight: 371.35417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H15F3N2O3S/c1-24-11-6-4-10(5-7-11)12-9-13(16(17,18)19)21-15(20-12)25-8-2-3-14(22)23/h4-7,9H,2-3,8H2,1H3,(H,22,23)/p-1