2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-chloranyl-4-fluoranyl-phenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(3-chloro-4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C27H26ClFN2OS MolecularWeight: 481.024543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C)C(C)(C)C

InChI

InChI=1S/C27H26ClFN2OS/c1-16-12-18(27(3,4)5)13-17(2)21(16)15-33-26-30-24-9-7-6-8-20(24)25(32)31(26)19-10-11-23(29)22(28)14-19/h6-14H,15H2,1-5H3