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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[2-(4-fluoranylphenoxy)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylthio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-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(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCOC4=CC=C(C=C4)F)C

Isomeric SMILES

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

InChI

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