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

Systemtic Name: 3-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-benzyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(phenylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-benzyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C23H17F3N2OS MolecularWeight: 426.45409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N2OS/c24-23(25,26)18-10-6-9-17(13-18)15-30-22-27-20-12-5-4-11-19(20)21(29)28(22)14-16-7-2-1-3-8-16/h1-13H,14-15H2