3-nitro-4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]benzamide 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)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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