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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C20H13F3N2O3S MolecularWeight: 418.38903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C20H13F3N2O3S/c21-20(22,23)18-9-14(12-4-2-1-3-5-12)24-19(25-18)29-10-15(26)13-6-7-16-17(8-13)28-11-27-16/h1-9H,10-11H2