1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(trifluoromethyl)-2-pyridyl]thio]ethanone Formula: C16H12F3NO3S MolecularWeight: 355.33159

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3NO3S/c17-16(18,19)11-2-4-15(20-8-11)24-9-12(21)10-1-3-13-14(7-10)23-6-5-22-13/h1-4,7-8H,5-6,9H2