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

Systemtic Name: 4-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Openeye Name: 4-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[4-(4-ethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]butanoate IUPAC Name: 4-[4-(4-ethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-p-phenetyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]butyrate Formula: C17H16F3N2O3S- MolecularWeight: 385.38075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3S/c1-2-25-12-7-5-11(6-8-12)13-10-14(17(18,19)20)22-16(21-13)26-9-3-4-15(23)24/h5-8,10H,2-4,9H2,1H3,(H,23,24)/p-1