4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C17H11F3N2O2S2 MolecularWeight: 396.40665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O2S2/c18-17(19,20)14-8-12(13-2-1-7-25-13)21-16(22-14)26-9-10-3-5-11(6-4-10)15(23)24/h1-8H,9H2,(H,23,24)