N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F)C)C

InChI

InChI=1S/C21H18F3N3O3S/c1-11-6-13(3)20-15(7-11)12(2)8-19(26-20)31-10-18(28)25-17-5-4-14(27(29)30)9-16(17)21(22,23)24/h4-9H,10H2,1-3H3,(H,25,28)