4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(trifluoromethyl)quinazoline Formula: C18H12F3N3O4S MolecularWeight: 423.36579

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O4S/c19-18(20,21)17-22-14-4-2-1-3-13(14)16(23-17)29-8-11-6-12(24(25)26)5-10-7-27-9-28-15(10)11/h1-6H,7-9H2