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

Systemtic Name: 7-chloranyl-3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-cyclopentyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-cyclopentyl-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C21H18ClF3N2OS MolecularWeight: 438.89363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2OS/c22-15-8-9-17-18(11-15)26-20(27(19(17)28)16-6-1-2-7-16)29-12-13-4-3-5-14(10-13)21(23,24)25/h3-5,8-11,16H,1-2,6-7,12H2