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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methyl-quinazolin-4-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methyl-quinazolin-4-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-methyl-4-quinazolinone IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methylquinazolin-4-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-methyl-quinazolin-4-one Formula: C16H9F3N4O5S MolecularWeight: 426.32667

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9F3N4O5S/c1-21-14(24)9-4-2-3-5-10(9)20-15(21)29-13-11(22(25)26)6-8(16(17,18)19)7-12(13)23(27)28/h2-7H,1H3