3-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-pyridylmethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-pyridinylmethyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-4-quinazolinone IUPAC Name: 3-(pyridin-3-ylmethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-pyridylmethyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]quinazolin-4-one Formula: C23H14F3N5OS MolecularWeight: 465.45037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C23H14F3N5OS/c24-23(25,26)21-28-17-9-3-1-7-15(17)19(30-21)33-22-29-18-10-4-2-8-16(18)20(32)31(22)13-14-6-5-11-27-12-14/h1-12H,13H2