5-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C17H11F3N2O3S MolecularWeight: 380.34105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(O3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(O3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3S/c18-17(19,20)14-8-12(10-4-2-1-3-5-10)21-16(22-14)26-9-11-6-7-13(25-11)15(23)24/h1-8H,9H2,(H,23,24)