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

Systemtic Name: 7-chloranyl-3-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-cyclohexyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-cyclohexyl-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C22H20ClF3N2OS MolecularWeight: 452.92021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H20ClF3N2OS/c23-16-9-10-18-19(12-16)27-21(28(20(18)29)17-7-2-1-3-8-17)30-13-14-5-4-6-15(11-14)22(24,25)26/h4-6,9-12,17H,1-3,7-8,13H2