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

Systemtic Name: N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]ethanamide Openeye Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide CAS Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide IUPAC Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide Traditional Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide Formula: C31H27F3N4O4S MolecularWeight: 608.63069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)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/C31H27F3N4O4S/c1-17(2)23-10-8-18(3)12-26(23)42-22-14-20(13-21(15-22)38(40)41)35-27(39)16-43-30-36-28-24-7-5-4-6-19(24)9-11-25(28)29(37-30)31(32,33)34/h4-8,10,12-15,17H,9,11,16H2,1-3H3,(H,35,39)