3-(3,5-dimethylphenyl)-2-[2-(4-fluoranylphenoxy)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-(4-fluoranylphenoxy)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylthio]quinazolin-4-one Formula: C24H21FN2O2S MolecularWeight: 420.499143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)F)C

InChI

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