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

Systemtic Name: 3-(4-bromanyl-2-methyl-phenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-bromo-2-methyl-phenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-bromo-2-methylphenyl)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(4-bromo-2-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-bromo-2-methyl-phenyl)-2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]quinazolin-4-one Formula: C22H12BrF3N4O5S MolecularWeight: 581.31869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H12BrF3N4O5S/c1-11-8-13(23)6-7-16(11)28-20(31)14-4-2-3-5-15(14)27-21(28)36-19-17(29(32)33)9-12(22(24,25)26)10-18(19)30(34)35/h2-10H,1H3