2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C24H21FN2OS MolecularWeight: 404.499743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H21FN2OS/c1-16-7-8-17(2)19(13-16)15-29-24-26-22-6-4-3-5-21(22)23(28)27(24)14-18-9-11-20(25)12-10-18/h3-13H,14-15H2,1-2H3