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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinoline IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinoline Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinoline Formula: C18H14N2O4S MolecularWeight: 354.37976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c21-20(22)15-7-13-9-23-11-24-18(13)14(8-15)10-25-17-6-5-12-3-1-2-4-16(12)19-17/h1-8H,9-11H2