N-(2-methoxy-5-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C19H15F3N4O4S MolecularWeight: 452.40701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O4S/c1-10(16(27)23-14-9-11(26(28)29)7-8-15(14)30-2)31-17-12-5-3-4-6-13(12)24-18(25-17)19(20,21)22/h3-10H,1-2H3,(H,23,27)