2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C26H25FN2OS MolecularWeight: 432.552903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN2OS/c1-26(2,3)20-12-8-19(9-13-20)17-31-25-28-23-7-5-4-6-22(23)24(30)29(25)16-18-10-14-21(27)15-11-18/h4-15H,16-17H2,1-3H3