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

Systemtic Name: 3-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C23H17F3N2O2S MolecularWeight: 442.45349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N2O2S/c1-30-18-9-5-8-17(13-18)28-21(29)19-10-2-3-11-20(19)27-22(28)31-14-15-6-4-7-16(12-15)23(24,25)26/h2-13H,14H2,1H3