3-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-1,2-dihydroquinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[3-nitro-4-(p-tolylsulfanyl)phenyl]-1,2-dihydroquinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-1,2-dihydroquinazolin-4-one IUPAC Name: 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-1,2-dihydroquinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[3-nitro-4-(p-tolylthio)phenyl]-1,2-dihydroquinazolin-4-one Formula: C27H20FN3O3S MolecularWeight: 485.529403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C27H20FN3O3S/c1-17-6-13-21(14-7-17)35-25-15-8-18(16-24(25)31(33)34)26-29-23-5-3-2-4-22(23)27(32)30(26)20-11-9-19(28)10-12-20/h2-16,26,29H,1H3