2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C21H10F4N4O5S MolecularWeight: 506.386513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C21H10F4N4O5S/c22-12-5-7-13(8-6-12)27-19(30)14-3-1-2-4-15(14)26-20(27)35-18-16(28(31)32)9-11(21(23,24)25)10-17(18)29(33)34/h1-10H