4-[4-(4-pyrrol-1-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[4-(4-pyrrol-1-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 4-[4-(4-pyrrol-1-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 4-[[4-[4-(1-pyrrolyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 4-[4-(4-pyrrol-1-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[4-(4-pyrrol-1-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyric acid Formula: C19H16F3N3O2S MolecularWeight: 407.40945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)SCCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)C3=CC(=NC(=N3)SCCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O2S/c20-19(21,22)16-12-15(23-18(24-16)28-11-3-4-17(26)27)13-5-7-14(8-6-13)25-9-1-2-10-25/h1-2,5-10,12H,3-4,11H2,(H,26,27)