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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C17H10ClF3N4O3S MolecularWeight: 442.79951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClF3N4O3S/c18-11-7-9(25(27)28)5-6-13(11)22-14(26)8-29-15-10-3-1-2-4-12(10)23-16(24-15)17(19,20)21/h1-7H,8H2,(H,22,26)