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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C27H27FN2OS MolecularWeight: 446.579483

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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)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN2OS/c1-17-14-19(27(3,4)5)15-18(2)23(17)16-32-26-29-24-9-7-6-8-22(24)25(31)30(26)21-12-10-20(28)11-13-21/h6-15H,16H2,1-5H3