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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(3-chloro-4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C25H22ClFN2OS MolecularWeight: 452.971383

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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=CC(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN2OS/c1-25(2,3)17-10-8-16(9-11-17)15-31-24-28-22-7-5-4-6-19(22)23(30)29(24)18-12-13-21(27)20(26)14-18/h4-14H,15H2,1-3H3