2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,3,4-oxadiazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,3,4-oxadiazole Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S2/c19-18(20)11-4-9-6-21-8-22-13(9)10(5-11)7-25-15-17-16-14(23-15)12-2-1-3-24-12/h1-5H,6-8H2