2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H11F3N4OS MolecularWeight: 388.36635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H11F3N4OS/c19-18(20,21)17-23-13-8-4-2-6-11(13)16(25-17)27-9-14-22-12-7-3-1-5-10(12)15(26)24-14/h1-8H,9H2,(H,22,24,26)