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

Systemtic Name: 6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline Openeye Name: 6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline CAS Name: 6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazolo[1,2-c]quinazoline IUPAC Name: 6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline Traditional Name: 6-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazolo[1,2-c]quinazoline Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C5=NC6=CC=CC=C6N53)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4C5=NC6=CC=CC=C6N53)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O4S/c28-27(29)16-9-14-11-30-13-31-21(14)15(10-16)12-32-23-25-18-6-2-1-5-17(18)22-24-19-7-3-4-8-20(19)26(22)23/h1-10H,11-13H2