2-(pyridin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(pyridin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(2-pyridylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(2-pyridinylthio)methyl]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(pyridin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-pyridylthio)methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H14F3N3OS MolecularWeight: 413.41557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC=N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=CC=CC=N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3OS/c22-21(23,24)14-6-5-7-15(12-14)27-18(13-29-19-10-3-4-11-25-19)26-17-9-2-1-8-16(17)20(27)28/h1-12H,13H2