4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate

Systemtic Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Openeye Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoate IUPAC Name: 4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyrate Formula: C15H11ClF3N2O2S- MolecularWeight: 375.77325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C15H12ClF3N2O2S/c16-10-5-3-9(4-6-10)11-8-12(15(17,18)19)21-14(20-11)24-7-1-2-13(22)23/h3-6,8H,1-2,7H2,(H,22,23)/p-1