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2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylic acid

2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name:2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylic acid
Openeye Name:2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylic acid
CAS Name:2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarboxylic acid
IUPAC Name:2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylic acid
Traditional Name:2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carboxylic acid
Formula: C18H11F3N2O2S
MolecularWeight: 376.35235
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)SC3=CC=CC(=C3)C(F)(F)F)C(=O)O


InChI

InChI=1S/C18H11F3N2O2S/c19-18(20,21)12-7-4-8-13(9-12)26-16-14(17(24)25)10-22-15(23-16)11-5-2-1-3-6-11/h1-10H,(H,24,25)


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