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

Systemtic Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-thiophen-2-yl-quinazoline Openeye Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-(2-thienyl)quinazoline CAS Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-thiophen-2-ylquinazoline IUPAC Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-2-thiophen-2-ylquinazoline Traditional Name: 4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-2-(2-thienyl)quinazoline Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S2/c25-24(26)15-8-13-10-27-12-28-19(13)14(9-15)11-30-21-16-4-1-2-5-17(16)22-20(23-21)18-6-3-7-29-18/h1-9H,10-12H2