2-[(3-fluorophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C22H14F4N2OS MolecularWeight: 430.417973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H14F4N2OS/c23-16-7-3-5-14(11-16)13-30-21-27-19-10-2-1-9-18(19)20(29)28(21)17-8-4-6-15(12-17)22(24,25)26/h1-12H,13H2