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3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-sulfanyl-methyl]benzoic acid

3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-sulfanyl-methyl]benzoic acid

Systemtic Name:3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-sulfanyl-methyl]benzoic acid
Openeye Name:3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-sulfanyl-methyl]benzoic acid
CAS Name:3-[mercapto-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl]benzoic acid
IUPAC Name:3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-sulfanylmethyl]benzoic acid
Traditional Name:3-[mercapto-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzoic acid
Formula: C19H13F3N2O2S
MolecularWeight: 390.37893
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H13F3N2O2S/c20-19(21,22)15-10-14(11-5-2-1-3-6-11)23-17(24-15)16(27)12-7-4-8-13(9-12)18(25)26/h1-10,16,27H,(H,25,26)


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