2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C24H21FN2O2S MolecularWeight: 420.499143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C24H21FN2O2S/c1-16-7-9-17(10-8-16)14-27-23(28)19-5-3-4-6-21(19)26-24(27)30-15-18-11-12-22(29-2)20(25)13-18/h3-13H,14-15H2,1-2H3