3-[2,4-bis(fluoranyl)phenyl]-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(2,4-difluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(2,4-difluorophenyl)quinazolin-4-one Formula: C25H22F2N2OS MolecularWeight: 436.516786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C25H22F2N2OS/c1-25(2,3)17-10-8-16(9-11-17)15-31-24-28-21-7-5-4-6-19(21)23(30)29(24)22-13-12-18(26)14-20(22)27/h4-14H,15H2,1-3H3