3-(3-fluoranyl-4-methyl-phenyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[1-(3-nitrophenyl)ethylthio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[1-(3-nitrophenyl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[1-(3-nitrophenyl)ethylthio]quinazolin-4-one Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=CC(=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=CC(=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C23H18FN3O3S/c1-14-10-11-17(13-20(14)24)26-22(28)19-8-3-4-9-21(19)25-23(26)31-15(2)16-6-5-7-18(12-16)27(29)30/h3-13,15H,1-2H3