1-(1,3-benzodioxol-5-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C15H11F3N2O3S MolecularWeight: 356.31965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCO3)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O3S/c1-8-4-13(15(16,17)18)20-14(19-8)24-6-10(21)9-2-3-11-12(5-9)23-7-22-11/h2-5H,6-7H2,1H3