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

Systemtic Name: 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Openeye Name: 4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoate IUPAC Name: 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyrate Formula: C13H10F3N2O2S2- MolecularWeight: 347.35591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O2S2/c14-13(15,16)10-7-8(9-3-1-5-21-9)17-12(18-10)22-6-2-4-11(19)20/h1,3,5,7H,2,4,6H2,(H,19,20)/p-1