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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-phenethyl-quinazolin-4-one CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-phenethylquinazolin-4-one Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-3-phenethyl-quinazolin-4-one Formula: C23H15F3N4O5S MolecularWeight: 516.44921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H15F3N4O5S/c24-23(25,26)15-12-18(29(32)33)20(19(13-15)30(34)35)36-22-27-17-9-5-4-8-16(17)21(31)28(22)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2