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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

InChI

InChI=1S/C19H17N3O7S/c1-25-15-4-3-11(7-16(15)26-2)18-20-21-19(29-18)30-9-13-6-14(22(23)24)5-12-8-27-10-28-17(12)13/h3-7H,8-10H2,1-2H3