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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propionamide Formula: C18H12ClF3N4O3S MolecularWeight: 456.82609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClF3N4O3S/c1-9(15(27)23-14-7-6-10(26(28)29)8-12(14)19)30-16-11-4-2-3-5-13(11)24-17(25-16)18(20,21)22/h2-9H,1H3,(H,23,27)