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

Systemtic Name: N-(2-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-nitrophenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C17H11F3N4O3S MolecularWeight: 408.35445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H11F3N4O3S/c18-17(19,20)16-22-11-6-2-1-5-10(11)15(23-16)28-9-14(25)21-12-7-3-4-8-13(12)24(26)27/h1-8H,9H2,(H,21,25)