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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazoline IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazoline Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]quinazoline Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4S/c21-20(22)13-5-11-7-23-10-24-16(11)12(6-13)8-25-17-14-3-1-2-4-15(14)18-9-19-17/h1-6,9H,7-8,10H2