N-(4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(4-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(4-nitrophenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C18H13F3N4O3S MolecularWeight: 422.38103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O3S/c1-10(15(26)22-11-6-8-12(9-7-11)25(27)28)29-16-13-4-2-3-5-14(13)23-17(24-16)18(19,20)21/h2-10H,1H3,(H,22,26)