N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C29H23F3N4O5S MolecularWeight: 596.57693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

InChI

InChI=1S/C29H23F3N4O5S/c1-2-40-20-8-10-21(11-9-20)41-22-14-18(13-19(15-22)36(38)39)33-25(37)16-42-28-34-26-23-6-4-3-5-17(23)7-12-24(26)27(35-28)29(30,31)32/h3-6,8-11,13-15H,2,7,12,16H2,1H3,(H,33,37)