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

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCC3=NC(=NO3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-21(23)15-6-13-8-24-11-25-17(13)14(7-15)9-27-10-16-19-18(20-26-16)12-4-2-1-3-5-12/h1-7H,8-11H2