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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(O3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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