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

Systemtic Name: 2-(3,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(3,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(3,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3,4-dimethylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-oxadiazole Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C19H17N3O5S/c1-11-3-4-13(5-12(11)2)18-20-21-19(27-18)28-9-15-7-16(22(23)24)6-14-8-25-10-26-17(14)15/h3-7H,8-10H2,1-2H3