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

Systemtic Name: 3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C21H19F3N2OS MolecularWeight: 404.44857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N2OS/c22-21(23,24)15-7-5-6-14(12-15)13-28-20-25-18-11-4-3-10-17(18)19(27)26(20)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2