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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C18H11F3N2O3S MolecularWeight: 392.35175

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O3S/c19-18(20,21)17-22-12-4-2-1-3-11(12)16(23-17)27-8-13(24)10-5-6-14-15(7-10)26-9-25-14/h1-7H,8-9H2